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

*Links on SpectraBase are not permalinks.
3-methyl-7-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SpectraBase Compound ID KANiSFN8TYb
InChI InChI=1S/C13H14N4O4S/c1-6-5-22-12-8(11(19)17(12)9(6)13(20)21)15-10(18)7-3-14-16(2)4-7/h3-4,8,12H,5H2,1-2H3,(H,15,18)(H,20,21)
InChIKey MNLBPGZCZKMAFX-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

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID Co0s68x0HKM
Name 3-methyl-7-{[(1-methyl-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/C13H14N4O4S/c1-6-5-22-12-8(11(19)17(12)9(6)13(20)21)15-10(18)7-3-14-16(2)4-7/h3-4,8,12H,5H2,1-2H3,(H,15,18)(H,20,21)
InChIKey MNLBPGZCZKMAFX-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21075
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/1262801; Labnumber: ZIL0081; UZI_ID: UZI-021083
Temperature 308 °C