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3-[(acetyloxy)methyl]-7-{[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SpectraBase Compound ID B4PUjiuh85A
InChI InChI=1S/C16H17ClN4O6S/c1-6-9(17)12(20(3)19-6)13(23)18-10-14(24)21-11(16(25)26)8(4-27-7(2)22)5-28-15(10)21/h10,15H,4-5H2,1-3H3,(H,18,23)(H,25,26)
InChIKey LJSRYNMAEYOESR-UHFFFAOYSA-N
Mol Weight 428.85 g/mol
Molecular Formula C16H17ClN4O6S
Exact Mass 428.055733 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6IoOhtbj32b
Name 3-[(acetyloxy)methyl]-7-{[(4-chloro-1,3-dimethyl-1H-pyrazol-5-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/C16H17ClN4O6S/c1-6-9(17)12(20(3)19-6)13(23)18-10-14(24)21-11(16(25)26)8(4-27-7(2)22)5-28-15(10)21/h10,15H,4-5H2,1-3H3,(H,18,23)(H,25,26)
InChIKey LJSRYNMAEYOESR-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21069
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/1262813; Labnumber: ZIL0068; UZI_ID: UZI-021077
Temperature 308 °C