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7-{[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SpectraBase Compound ID DRwjaI4vdoJ
InChI InChI=1S/C17H17BrN6O4S3/c1-6-9(18)10(22-23(6)3)13(25)19-11-14(26)24-12(16(27)28)8(4-29-15(11)24)5-30-17-21-20-7(2)31-17/h11,15H,4-5H2,1-3H3,(H,19,25)(H,27,28)
InChIKey UKQNDAIMFCSTHH-UHFFFAOYSA-N
Mol Weight 545.45 g/mol
Molecular Formula C17H17BrN6O4S3
Exact Mass 543.96568 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9taMaKYhSrk
Name 7-{[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]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/C17H17BrN6O4S3/c1-6-9(18)10(22-23(6)3)13(25)19-11-14(26)24-12(16(27)28)8(4-29-15(11)24)5-30-17-21-20-7(2)31-17/h11,15H,4-5H2,1-3H3,(H,19,25)(H,27,28)
InChIKey UKQNDAIMFCSTHH-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21058
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/1031375; Labnumber: ZIL0049; UZI_ID: UZI-021066
Temperature 308 °C