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7-{[(1,5-dimethyl-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 KcKaS98mw58
InChI InChI=1S/C17H17N7O6S3/c1-6-11(24(29)30)9(21-22(6)3)13(25)18-10-14(26)23-12(16(27)28)8(4-31-15(10)23)5-32-17-20-19-7(2)33-17/h10,15H,4-5H2,1-3H3,(H,18,25)(H,27,28)
InChIKey WYPCPIYDDGHYMF-UHFFFAOYSA-N
Mol Weight 511.55 g/mol
Molecular Formula C17H17N7O6S3
Exact Mass 511.040245 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Lxj4W2wQvNh
Name 7-{[(1,5-dimethyl-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 © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C17H17N7O6S3/c1-6-11(24(29)30)9(21-22(6)3)13(25)18-10-14(26)23-12(16(27)28)8(4-31-15(10)23)5-32-17-20-19-7(2)33-17/h10,15H,4-5H2,1-3H3,(H,18,25)(H,27,28)
InChIKey WYPCPIYDDGHYMF-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21059
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/1032082; Labnumber: ZIL0052; UZI_ID: UZI-021067
Temperature 308 °C