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7-{[(1,3-diphenyl-1H-pyrazol-4-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 KGExdM7XSv5
InChI InChI=1S/C27H22N6O4S3/c1-15-29-30-27(40-15)39-14-17-13-38-25-21(24(35)33(25)22(17)26(36)37)28-23(34)19-12-32(18-10-6-3-7-11-18)31-20(19)16-8-4-2-5-9-16/h2-12,21,25H,13-14H2,1H3,(H,28,34)(H,36,37)
InChIKey BFAXACPWWLOFIV-UHFFFAOYSA-N
Mol Weight 590.69 g/mol
Molecular Formula C27H22N6O4S3
Exact Mass 590.086467 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CJA6K0Af8oP
Name 7-{[(1,3-diphenyl-1H-pyrazol-4-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/C27H22N6O4S3/c1-15-29-30-27(40-15)39-14-17-13-38-25-21(24(35)33(25)22(17)26(36)37)28-23(34)19-12-32(18-10-6-3-7-11-18)31-20(19)16-8-4-2-5-9-16/h2-12,21,25H,13-14H2,1H3,(H,28,34)(H,36,37)
InChIKey BFAXACPWWLOFIV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21070
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/1030958; Labnumber: ZIL0069; UZI_ID: UZI-021078
Temperature 308 °C