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3-methyl-7-{[3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SpectraBase Compound ID 4JzFqVpT7MB
InChI InChI=1S/C15H17N5O6S/c1-7-6-27-14-11(13(22)19(14)12(7)15(23)24)17-10(21)3-4-18-8(2)9(5-16-18)20(25)26/h5,11,14H,3-4,6H2,1-2H3,(H,17,21)(H,23,24)
InChIKey RUAXJPXALSLHRI-UHFFFAOYSA-N
Mol Weight 395.39 g/mol
Molecular Formula C15H17N5O6S
Exact Mass 395.089954 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2oi0s3tjPMk
Name 3-methyl-7-{[3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanoyl]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/C15H17N5O6S/c1-7-6-27-14-11(13(22)19(14)12(7)15(23)24)17-10(21)3-4-18-8(2)9(5-16-18)20(25)26/h5,11,14H,3-4,6H2,1-2H3,(H,17,21)(H,23,24)
InChIKey RUAXJPXALSLHRI-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21100
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/1265759; Labnumber: ZIL0164; UZI_ID: UZI-021108
Temperature 308 °C