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3-(4-bromo-2-thienyl)-4-nitrobutanoic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-(4-bromo-2-thienyl)-4-nitrobutanoic acid
SpectraBase Compound ID 7n04ZUUvBgb
InChI InChI=1S/C8H8BrNO4S/c9-6-2-7(15-4-6)5(1-8(11)12)3-10(13)14/h2,4-5H,1,3H2,(H,11,12)
InChIKey NNMDDFFBBKPEGL-UHFFFAOYSA-N
Mol Weight 294.12 g/mol
Molecular Formula C8H8BrNO4S
Exact Mass 292.935742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvPAsFzWeE
Name 3-(4-bromo-2-thienyl)-4-nitrobutanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8BrNO4S
InChI InChI=1S/C8H8BrNO4S/c9-6-2-7(15-4-6)5(1-8(11)12)3-10(13)14/h2,4-5H,1,3H2,(H,11,12)
InChIKey NNMDDFFBBKPEGL-UHFFFAOYSA-N
Molecular Weight 294.119 g/mol
SMILES OC(CC(c1cc(Br)cs1)CN(=O)=O)=O
SPLASH splash10-0002-9090000000-622f821ca9dca09b94a0
Source of Spectrum B-50-25-30
Synonyms 3-(4'-Bromo-2'-thienyl)-4-nitrobutanoic acid
Wiley ID 745450