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7-{[(1-methyl-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 8PGYq0RSIes
InChI InChI=1S/C16H16N6O4S3/c1-7-19-20-16(29-7)28-6-9-5-27-14-10(13(24)22(14)11(9)15(25)26)18-12(23)8-3-17-21(2)4-8/h3-4,10,14H,5-6H2,1-2H3,(H,18,23)(H,25,26)
InChIKey FOSIKGJBSWWILV-UHFFFAOYSA-N
Mol Weight 452.52 g/mol
Molecular Formula C16H16N6O4S3
Exact Mass 452.039517 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8U9ULMFaGUs
Name 7-{[(1-methyl-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/C16H16N6O4S3/c1-7-19-20-16(29-7)28-6-9-5-27-14-10(13(24)22(14)11(9)15(25)26)18-12(23)8-3-17-21(2)4-8/h3-4,10,14H,5-6H2,1-2H3,(H,18,23)(H,25,26)
InChIKey FOSIKGJBSWWILV-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21077
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/1264300; Labnumber: ZIL0083; UZI_ID: UZI-021085
Temperature 308 °C