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7-{[(1-methyl-4-nitro-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 Hp9jKEwN8Kw
InChI InChI=1S/C16H15N7O6S3/c1-6-18-19-16(32-6)31-5-7-4-30-14-10(13(25)22(14)11(7)15(26)27)17-12(24)9-8(23(28)29)3-21(2)20-9/h3,10,14H,4-5H2,1-2H3,(H,17,24)(H,26,27)
InChIKey MMKOZVUKXAPEPM-UHFFFAOYSA-N
Mol Weight 497.52 g/mol
Molecular Formula C16H15N7O6S3
Exact Mass 497.024595 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jzfi0Tm2euA
Name 7-{[(1-methyl-4-nitro-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/C16H15N7O6S3/c1-6-18-19-16(32-6)31-5-7-4-30-14-10(13(25)22(14)11(7)15(26)27)17-12(24)9-8(23(28)29)3-21(2)20-9/h3,10,14H,4-5H2,1-2H3,(H,17,24)(H,26,27)
InChIKey MMKOZVUKXAPEPM-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21053
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/1029190; Labnumber: ZIL0022; UZI_ID: UZI-021061
Temperature 308 °C