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3-methyl-7-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SpectraBase Compound ID 8ZgqSmoKkQ8
InChI InChI=1S/C13H14N4O4S/c1-6-5-22-12-8(11(19)17(12)9(6)13(20)21)14-10(18)7-3-4-16(2)15-7/h3-4,8,12H,5H2,1-2H3,(H,14,18)(H,20,21)
InChIKey ILTWKXWHLKKWPC-UHFFFAOYSA-N
Mol Weight 322.34 g/mol
Molecular Formula C13H14N4O4S
Exact Mass 322.073576 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A2QSn4o3sOK
Name 3-methyl-7-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-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/C13H14N4O4S/c1-6-5-22-12-8(11(19)17(12)9(6)13(20)21)14-10(18)7-3-4-16(2)15-7/h3-4,8,12H,5H2,1-2H3,(H,14,18)(H,20,21)
InChIKey ILTWKXWHLKKWPC-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21044
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/1025962; Labnumber: ZIL0005; UZI_ID: UZI-021052
Temperature 308 °C