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

*Links on SpectraBase are not permalinks.
7-{[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SpectraBase Compound ID KZ2XgUq8to2
InChI InChI=1S/C16H19BrN4O4S/c1-7-6-26-15-12(14(23)21(15)13(7)16(24)25)18-10(22)4-5-20-9(3)11(17)8(2)19-20/h12,15H,4-6H2,1-3H3,(H,18,22)(H,24,25)
InChIKey XUYFIZCSLJANOL-UHFFFAOYSA-N
Mol Weight 443.32 g/mol
Molecular Formula C16H19BrN4O4S
Exact Mass 442.031039 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 HcJRhZMWyNy
Name 7-{[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]amino}-3-methyl-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/C16H19BrN4O4S/c1-7-6-26-15-12(14(23)21(15)13(7)16(24)25)18-10(22)4-5-20-9(3)11(17)8(2)19-20/h12,15H,4-6H2,1-3H3,(H,18,22)(H,24,25)
InChIKey XUYFIZCSLJANOL-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21097
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/1267625; Labnumber: ZIL0153; UZI_ID: UZI-021105
Temperature 308 °C