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3-[(acetyloxy)methyl]-7-{[3-(4-bromo-3-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 FDKB5W3hTxy
InChI InChI=1S/C16H16BrN5O8S/c1-7(23)30-5-8-6-31-15-11(14(25)21(15)12(8)16(26)27)18-10(24)2-3-20-4-9(17)13(19-20)22(28)29/h4,11,15H,2-3,5-6H2,1H3,(H,18,24)(H,26,27)
InChIKey PETXJVAJYYNLCZ-UHFFFAOYSA-N
Mol Weight 518.3 g/mol
Molecular Formula C16H16BrN5O8S
Exact Mass 516.990297 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FNjTs8jOOqP
Name 3-[(acetyloxy)methyl]-7-{[3-(4-bromo-3-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/C16H16BrN5O8S/c1-7(23)30-5-8-6-31-15-11(14(25)21(15)12(8)16(26)27)18-10(24)2-3-20-4-9(17)13(19-20)22(28)29/h4,11,15H,2-3,5-6H2,1H3,(H,18,24)(H,26,27)
InChIKey PETXJVAJYYNLCZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21105
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/1265422; Labnumber: ZIL0175; UZI_ID: UZI-021113
Temperature 318 °C