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3-(4-Nitro-phenylsulfanyl)-propionic acid

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

3-(4-Nitro-phenylsulfanyl)-propionic acid
SpectraBase Compound ID LqqYsZSlngU
InChI InChI=1S/C9H9NO4S/c11-9(12)5-6-15-8-3-1-7(2-4-8)10(13)14/h1-4H,5-6H2,(H,11,12)
InChIKey RUFCXXWAWDPCQV-UHFFFAOYSA-N
Mol Weight 227.23 g/mol
Molecular Formula C9H9NO4S
Exact Mass 227.025229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0nDHByS5Zo
Name 3-(4-Nitro-phenylsulfanyl)-propionic acid
Alternate Name(s) 3-(4-nitrophenyl)sulfanylpropanoic acid 3-[(4-nitrophenyl)thio]propanoic acid 3-[(4-nitrophenyl)thio]propionic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO4S
InChI InChI=1S/C9H9NO4S/c11-9(12)5-6-15-8-3-1-7(2-4-8)10(13)14/h1-4H,5-6H2,(H,11,12)
InChIKey RUFCXXWAWDPCQV-UHFFFAOYSA-N
Molecular Weight 227.234 g/mol
SMILES OC(CCSc1ccc(N(=O)=O)cc1)=O
SPLASH splash10-01dj-9610000000-d65a02cd1e90135c5d62
Wiley ID 1457109