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

*Links on SpectraBase are not permalinks.
7-{[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SpectraBase Compound ID 1Z9TLy1ESq1
InChI InChI=1S/C16H15ClN6O4S3/c1-6-19-20-16(30-6)29-5-7-4-28-14-10(13(25)23(14)11(7)15(26)27)18-12(24)9-8(17)3-22(2)21-9/h3,10,14H,4-5H2,1-2H3,(H,18,24)(H,26,27)
InChIKey YBLLSUDFFKHEQK-UHFFFAOYSA-N
Mol Weight 486.97 g/mol
Molecular Formula C16H15ClN6O4S3
Exact Mass 486.000544 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 GzynTPxeyAU
Name 7-{[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]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/C16H15ClN6O4S3/c1-6-19-20-16(30-6)29-5-7-4-28-14-10(13(25)23(14)11(7)15(26)27)18-12(24)9-8(17)3-22(2)21-9/h3,10,14H,4-5H2,1-2H3,(H,18,24)(H,26,27)
InChIKey YBLLSUDFFKHEQK-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21046
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/1027424; Labnumber: ZIL0012; UZI_ID: UZI-021054
Temperature 308 °C