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sodium 7-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SpectraBase Compound ID Ift12uHT2K8
InChI InChI=1S/C20H20N4O4S.Na/c1-10-9-29-19-15(18(26)23(19)16(10)20(27)28)21-17(25)14-11(2)22-24(12(14)3)13-7-5-4-6-8-13;/h4-8,15,19H,9H2,1-3H3,(H,21,25)(H,27,28);/q;+1/p-1
InChIKey OITRDXQTRPMCIC-UHFFFAOYSA-M
Mol Weight 434.45 g/mol
Molecular Formula C20H19N4NaO4S
Exact Mass 434.102471 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5sY9xMOMIWK
Name sodium 7-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-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/C20H20N4O4S.Na/c1-10-9-29-19-15(18(26)23(19)16(10)20(27)28)21-17(25)14-11(2)22-24(12(14)3)13-7-5-4-6-8-13;/h4-8,15,19H,9H2,1-3H3,(H,21,25)(H,27,28);/q;+1/p-1
InChIKey OITRDXQTRPMCIC-UHFFFAOYSA-M
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29776
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: 1263258; SBI_ID: SBI-029780
Temperature 308 °C