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3-[(acetyloxy)methyl]-7-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SpectraBase Compound ID D3SfsHPsNe2
InChI InChI=1S/C16H17BrN4O6S/c1-3-20-12(9(17)4-18-20)13(23)19-10-14(24)21-11(16(25)26)8(5-27-7(2)22)6-28-15(10)21/h4,10,15H,3,5-6H2,1-2H3,(H,19,23)(H,25,26)
InChIKey YBXXFWMAJFDCFT-UHFFFAOYSA-N
Mol Weight 473.3 g/mol
Molecular Formula C16H17BrN4O6S
Exact Mass 472.005218 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9jlo2jZ9eRS
Name 3-[(acetyloxy)methyl]-7-{[(4-bromo-1-ethyl-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/C16H17BrN4O6S/c1-3-20-12(9(17)4-18-20)13(23)19-10-14(24)21-11(16(25)26)8(5-27-7(2)22)6-28-15(10)21/h4,10,15H,3,5-6H2,1-2H3,(H,19,23)(H,25,26)
InChIKey YBXXFWMAJFDCFT-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21063
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/1032100; Labnumber: ZIL0059; UZI_ID: UZI-021071
Temperature 308 °C