For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
sodium 7-({[4-chloro-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-carboxylate
SpectraBase Compound ID 92zGQJwfBqy
InChI InChI=1S/C14H12ClF3N4O4S.Na/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);/q;+1/p-1
InChIKey FKJHLVBWAKYEMX-UHFFFAOYSA-M
Mol Weight 446.76 g/mol
Molecular Formula C14H11ClF3N4NaO4S
Exact Mass 446.003932 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID I3Oi96k3uk6
Name sodium 7-({[4-chloro-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-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/C14H12ClF3N4O4S.Na/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);/q;+1/p-1
InChIKey FKJHLVBWAKYEMX-UHFFFAOYSA-M
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21079
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/1263953; Labnumber: ZIL0088; UZI_ID: UZI-021087
Temperature 308 °C