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7-{[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SpectraBase Compound ID BLnm18nt3PG
InChI InChI=1S/C13H13BrN4O4S/c1-5-4-23-12-7(11(20)18(12)8(5)13(21)22)16-10(19)9-6(14)3-15-17(9)2/h3,7,12H,4H2,1-2H3,(H,16,19)(H,21,22)
InChIKey NWUKTWMMPCTVLZ-UHFFFAOYSA-N
Mol Weight 401.24 g/mol
Molecular Formula C13H13BrN4O4S
Exact Mass 399.984089 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9nP1VYWQc5w
Name 7-{[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C13H13BrN4O4S/c1-5-4-23-12-7(11(20)18(12)8(5)13(21)22)16-10(19)9-6(14)3-15-17(9)2/h3,7,12H,4H2,1-2H3,(H,16,19)(H,21,22)
InChIKey NWUKTWMMPCTVLZ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21052
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/1026772; Labnumber: ZIL0021; UZI_ID: UZI-021060
Temperature 308 °C