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7-({[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

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7-({[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SpectraBase Compound ID F3XUYUUhIA3
InChI InChI=1S/C14H12BrF3N4O4S/c1-4-3-27-12-7(11(24)22(12)8(4)13(25)26)19-10(23)6-5(15)9(14(16,17)18)21(2)20-6/h7,12H,3H2,1-2H3,(H,19,23)(H,25,26)
InChIKey OSLSAIUPWGXNMX-UHFFFAOYSA-N
Mol Weight 469.23 g/mol
Molecular Formula C14H12BrF3N4O4S
Exact Mass 467.971474 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID dNvgIqf2Zl
Name 7-({[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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/c1-4-3-27-12-7(11(24)22(12)8(4)13(25)26)19-10(23)6-5(15)9(14(16,17)18)21(2)20-6/h7,12H,3H2,1-2H3,(H,19,23)(H,25,26)
InChIKey OSLSAIUPWGXNMX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29775
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: 1263110; SBI_ID: SBI-029779
Temperature 308 °C