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

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3-[(acetyloxy)methyl]-7-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SpectraBase Compound ID CcF4vgL1d1e
InChI InChI=1S/C16H18N4O6S/c1-7-10(4-17-19(7)3)13(22)18-11-14(23)20-12(16(24)25)9(5-26-8(2)21)6-27-15(11)20/h4,11,15H,5-6H2,1-3H3,(H,18,22)(H,24,25)
InChIKey RCWZRULUUPXSNC-UHFFFAOYSA-N
Mol Weight 394.4 g/mol
Molecular Formula C16H18N4O6S
Exact Mass 394.094705 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BIPcTsLLh7X
Name 3-[(acetyloxy)methyl]-7-{[(1,5-dimethyl-1H-pyrazol-4-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/C16H18N4O6S/c1-7-10(4-17-19(7)3)13(22)18-11-14(23)20-12(16(24)25)9(5-26-8(2)21)6-27-15(11)20/h4,11,15H,5-6H2,1-3H3,(H,18,22)(H,24,25)
InChIKey RCWZRULUUPXSNC-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21048
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/1028906; Labnumber: ZIL0017; UZI_ID: UZI-021056
Temperature 308 °C