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sodium 7-({[4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SpectraBase Compound ID 5ZP0X7Wpg1Y
InChI InChI=1S/C14H12BrF3N4O4S.Na/c1-4-3-27-12-6(11(24)22(12)7(4)13(25)26)19-10(23)8-5(15)9(14(16,17)18)20-21(8)2;/h6,12H,3H2,1-2H3,(H,19,23)(H,25,26);/q;+1/p-1
InChIKey JKUOILRBWXIVMH-UHFFFAOYSA-M
Mol Weight 491.21 g/mol
Molecular Formula C14H11BrF3N4NaO4S
Exact Mass 489.953418 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LeVlicUjHTY
Name sodium 7-({[4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C14H12BrF3N4O4S.Na/c1-4-3-27-12-6(11(24)22(12)7(4)13(25)26)19-10(23)8-5(15)9(14(16,17)18)20-21(8)2;/h6,12H,3H2,1-2H3,(H,19,23)(H,25,26);/q;+1/p-1
InChIKey JKUOILRBWXIVMH-UHFFFAOYSA-M
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21095
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/1267806; Labnumber: ZIL0148; UZI_ID: UZI-021103
Temperature 308 °C