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3-[(acetyloxy)methyl]-7-{[(1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SpectraBase Compound ID 2QNlfDJiyZ5
InChI InChI=1S/C15H15N5O8S/c1-6(21)28-4-7-5-29-14-9(13(23)19(14)10(7)15(24)25)17-12(22)11-8(20(26)27)3-16-18(11)2/h3,9,14H,4-5H2,1-2H3,(H,17,22)(H,24,25)
InChIKey QQNBIYUPLJMAJH-UHFFFAOYSA-N
Mol Weight 425.37 g/mol
Molecular Formula C15H15N5O8S
Exact Mass 425.064134 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CCVpivuBrez
Name 3-[(acetyloxy)methyl]-7-{[(1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]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/C15H15N5O8S/c1-6(21)28-4-7-5-29-14-9(13(23)19(14)10(7)15(24)25)17-12(22)11-8(20(26)27)3-16-18(11)2/h3,9,14H,4-5H2,1-2H3,(H,17,22)(H,24,25)
InChIKey QQNBIYUPLJMAJH-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21098
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent ACETONE-d6
Source File Reference VendorID: UZI/1267293; Labnumber: ZIL0154; UZI_ID: UZI-021106
Temperature 308 °C