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3-[(acetyloxy)methyl]-7-{[(1,3-diphenyl-1H-pyrazol-4-yl)carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SpectraBase Compound ID CA6MhcHN1dG
InChI InChI=1S/C26H22N4O6S/c1-15(31)36-13-17-14-37-25-21(24(33)30(25)22(17)26(34)35)27-23(32)19-12-29(18-10-6-3-7-11-18)28-20(19)16-8-4-2-5-9-16/h2-12,21,25H,13-14H2,1H3,(H,27,32)(H,34,35)
InChIKey DNAFQTSGJFWVTJ-UHFFFAOYSA-N
Mol Weight 518.54 g/mol
Molecular Formula C26H22N4O6S
Exact Mass 518.126006 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GU1vrZNbbuH
Name 3-[(acetyloxy)methyl]-7-{[(1,3-diphenyl-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/C26H22N4O6S/c1-15(31)36-13-17-14-37-25-21(24(33)30(25)22(17)26(34)35)27-23(32)19-12-29(18-10-6-3-7-11-18)28-20(19)16-8-4-2-5-9-16/h2-12,21,25H,13-14H2,1H3,(H,27,32)(H,34,35)
InChIKey DNAFQTSGJFWVTJ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21067
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/1030240; Labnumber: ZIL0065; UZI_ID: UZI-021075
Temperature 308 °C