Inova 400 mhz

Manufactured by Bruker

The Inova 400 MHz is a nuclear magnetic resonance (NMR) spectrometer manufactured by Bruker. It operates at a proton frequency of 400 MHz and is designed to perform various NMR analyses on samples. The Inova 400 MHz provides high-resolution NMR data that can be used for the identification, characterization, and structural analysis of chemical compounds.

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Lab products found in correlation

Avance 3 500 mhz spectrometer, by Bruker (1 mentions) Tlc silica gel 60 f254, by Merck Group (1 mentions) Spektra one, by Biotage (1 mentions) Q exactive hf x, by Thermo Fisher Scientific (1 mentions) Acquity h class, by Waters Corporation (1 mentions) F 7000 fluorescence spectrophotometer, by Hitachi (1 mentions) Avance 600 spectrometer, by Bruker (1 mentions) U 4100 absorption spectrophotometer, by Hitachi (1 mentions) Drx 500, by Bruker (1 mentions) Drx 400, by Bruker (1 mentions) Neo 500 mhz, by Bruker (1 mentions) Unity 300 mhz, by Bruker (1 mentions) Tlc silica gel 60, by Merck Group (1 mentions) Isolera one, by Biotage (1 mentions) Avance 3 hd 850 mhz, by Bruker (1 mentions) Acquity ultra high performance liquid chromatography, by Waters Corporation (1 mentions)

Spelling variants of this product

Inova 400 (11 citations) Inova 400 MHz Spectrometer (2 citations)

7 protocols using inova 400 mhz

General Synthetic Procedures for NMR and Mass Spectrometry

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Example 1

General Synthetic Procedures

¹H and ¹³C NMR spectra were recorded on a Varian Inova 400 MHz or Bruker Avance III 500 MHz spectrometer. Chemical shifts are reported in parts per million (ppm) relative to tetramethylsilane (TMS) as the internal standard. NMR data is presented as follows: Chemical shift, multiplicity (s=singlet, bs=broad singlet, d=doublet, t=triplet, dd=doublet of doublet, dt=doublet of triplet, m=multiplet and/or multiple resonances), integration, coupling constant in Hertz (Hz). All NMR signals were assigned on the basis of ¹H, ¹³C, ¹⁹F NMR, COSY and HSQC experiments. Mass spectra were recorded on a JEOL JMS-T1000S AccuTOF mass spectrometer. Automatic column chromatography was performed on Biotage Isolera Spektra One, using SNAP cartridges 10-50 g filled with normal silica (Biotage, 30-100 μm, 60 Å) or water resistant iatro beads. Microwave reactions were performed on a Biotage Initiator 4.1.3. TLC analysis was conducted on TLC Silicagel, 60, F254, Merck, with detection by UV absorption (254 nm) where applicable, and by spraying with 20% H₂SO₄in methanol followed by charring at −150° C. or by spraying with a solution of (NH₄)₆Mo₇O₂₄.H₂O (25 g l⁻¹) in 10% H₂SO₄in methanol followed by charring at −300° C. DCM, ACN and Tol were freshly distilled. Reactions were carried out under an argon atmosphere.

US11639364B2. Potent sialyltransferase inhibitors (2023-05-02). STICHTING RADBOUD UNIVERSITEIT [NL]. Inventors: Thomas Jan Boltje [NL], Torben Heise [FR], Johan Franciscus Adrianus Pijnenborg [NL], Christian Büll [DK], Gosse Jan Adema [NL].

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General Chemistry Techniques for Research

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General chemistry information: All reagents and solvents, unless specifically stated, were used as obtained from their commercial sources without further purification. Solvents were degassed with nitrogen for cross-coupling reactions. Air and moisture sensitive reactions were performed under an inert atmosphere using nitrogen in a previously oven-dried reaction flask, and addition of reagents were done using a syringe. All microwave (µW) reactions were carried out in a Biotage Initiator EXP US 400W microwave synthesizer. Thin layer chromatography (TLC) analyses were performed using 200 μm pre-coated sorbtech fluorescent TLC plates and spots were visualized using UV light. High resolution mass spectrometry samples were analyzed with a ThermoFisher Q Exactive HF-X (ThermoFisher, Bremen, Germany) mass spectrometer coupled with a Waters Acquity H-class liquid chromatograph system. All HRMS were obtained via electrospray ionization (ESI). Column chromatography was undertaken with a Biotage Isolera One or Prime instrument. Nuclear magnetic resonance (NMR) spectrometry was run on a Varian Inova 400 MHz or Bruker Avance III 700 MHz spectrometer equipped with a TCI H-C/N-D 5 mm cryoprobe and data were processed using the MestReNova processor. Chemical shifts are reported in ppm with residual solvent peaks referenced as internal standard.

Wells C., Liang Y., Pulliam T.L., Lin C., Awad D., Eduful B., O’Byrne S., Hossain M.A., Catta-Preta C.M., Ramos P.Z., Gileadi O., Gileadi C., Couñago R.M., Stork B., Langendorf C.G., Nay K., Oakhill J.S., Mukherjee D., Racioppi L., Means A.R., York B., McDonnell D.P., Scott J.W., Frigo D.E, & Drewry D.H. (2023). SGC-CAMKK2-1: A Chemical Probe for CAMKK2. Cells, 12(2), 287.

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Synthesis and Characterization of Organometallic Compounds

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All reagents were commercially available and used as supplied without further purification. Deuterated solvents were purchased from Cambridge Isotope Laboratory (Andover, MA). Compounds 2, 8, and 4^{46 (link)} were prepared according to modified literature procedures. NMR experiments were recorded at room temperature. ¹H NMR spectra were recorded in the designated solvents on a Varian Inova 400 MHz or a Bruker Avance 600 spectrometer. ³¹P{¹H} NMR spectra were recorded on a Varian Unity 300 NMR spectrometer, and ³¹P{¹H} NMR chemical shifts are referenced to an external unlocked sample of 85% H₃PO₄ (δ 0.0 ppm). Mass spectra were recorded on a Micromass Quattro II triple-quadrupole mass spectrometer using electrospray ionization with a MassLynx operating system. Ultraviolet–visible experiments were conducted on a Hitachi U-4100 absorption spectrophotometer. Fluorescence experiments were conducted on a Hitachi F-7000 fluorescence spectrophotometer.

Sun Y., Zhang F., Jiang S., Wang Z., Ni R., Wang H., Zhou W., Li X, & Stang P.J. (2018). Assembly of Metallacages into Soft Suprastructures with Dimensions of up to Micrometers and the Formation of Composite Materials. Journal of the American Chemical Society, 140(49), 17297-17307.

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Purification and Characterization of Organic Compounds

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Unless otherwise noted, all reagents were purchased from Acros, Alfa and Adamas and used without further purification. Column chromatography purifications were performed using 200–300 mesh silica gel. NMR spectra were recorded on Varian Inova-400 MHz, Inova-300 MHz, Bruker DRX-400 or Bruker DRX-500 instruments and calibrated using residual solvent peaks as internal references. All heating reactions were conducted in an oil bath. Multiplicities are recorded as follows: s = singlet, d = doublet, t = triplet, dd = doublet of doublets, m = multiplet. HRMS analyses were carried out using a TOF-MS instrument with an EI source. ESR: JES-X320 electron spin resonance spectrometer.

Wang C., Yang S., Huang Z, & Zhao Y. (2022). A Palladium-Catalyzed 4CzIPN-Mediated Decarboxylative Acylation Reaction of O-Methyl Ketoximes with α-Keto Acids under Visible Light. Molecules, 27(6), 1980.

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NMR Spectroscopic Characterization of Compounds

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All reagents were commercially available and used as supplied without further purification. Deuterated solvents were purchased from Cambridge Isotope Laboratory. NMR experiments were recorded on a spectrometer at room temperature. ¹H NMR spectra were recorded in the designated solvents on a Varian Inova 400-MHz and a Bruker Neo 500-MHz spectrometers. ³¹P{¹H} NMR spectra were recorded on a Varian Unity 300-MHz and a Bruker Neo 500-MHz spectrometers, and ³¹P{¹H} NMR chemical shifts were referenced to an external unlocked sample of 85% H₃PO₄ (δ 0.0 ppm). Mass spectra were recorded on Waters TQD Acquity UPLC w/Acquity H Class UPLC mass spectrometer.

Sun Y., Tuo W, & Stang P.J. (2022). Metal–organic cycle-based multistage assemblies. Proceedings of the National Academy of Sciences of the United States of America, 119(12), e2122398119.

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Analytical Techniques for Compound Characterization

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¹H and ¹³C NMR spectra were recorded on a
Varian Inova 400 MHz or a Bruker AVANCE III 500 MHz spectrometer.
The purity of the compounds (≥95%) was determined by nuclear
magnetic resonance (NMR) spectroscopy. Mass spectra were recorded
on a JEOL JMS-T100CS AccuTOF mass spectrometer. Automatic column chromatography
was performed on Biotage Isolera Spektra One, using SNAP cartridges
10–50 g filled with normal silica (Biotage, 30–100 μm,
60 Å). TLC analysis was conducted on TLC silica gel, 60, F254,
Merck, with detection by UV absorption (254 nm) where applicable and
by spraying with 20% H₂SO₄ in MeOH followed
by charring at ∼150 °C. Dichloromethane (DCM) was freshly
distilled. All reactions were carried out under an argon atmosphere.

Heise T., Pijnenborg J.F., Büll C., van Hilten N., Kers-Rebel E.D., Balneger N., Elferink H., Adema G.J, & Boltje T.J. (2018). Potent Metabolic Sialylation Inhibitors Based on C-5-Modified Fluorinated Sialic Acids. Journal of Medicinal Chemistry, 62(2), 1014-1021.

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Optimized Organic Synthesis Protocols

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All chemicals were commercially available except those whose synthesis is described. All reaction mixtures and column eluents were monitored by analytical thin-layer chromatography (TLC) performed on pre-coated Sorbtech fluorescent silica gel plates, 200 μm with an F254 indicator; visualization was accomplished by UV light (254/365 nm). Column chromatography was undertaken with a Biotage Isolera One instrument. Nuclear magnetic resonance (NMR) spectrometry was run on a Varian Inova 400 MHz or Bruker Avance III HD 850 MHz spectrometer. The NMR data were processed using MNova 14.3.1. Chemical shifts are reported in ppm with residual solvent peaks referenced as internal standard. Analytical LC/MS data were obtained using a Waters Acquity Ultrahigh-performance liquid chromatography (UPLC) system equipped with a photodiode array (PDA) detector running an acetonitrile/water gradient.

Yang X., Smith J.L., Beck M.T., Wilkinson J.M., Michaud A., Vasta J.D., Robers M.B, & Willson T.M. (2023). Development of Cell Permeable NanoBRET Probes for the Measurement of PLK1 Target Engagement in Live Cells. bioRxiv.

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