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3-Mercapto-3-phenylpropionic Acid

View entire compound with spectra: 1 MS (GC)

3-Mercapto-3-phenylpropionic Acid
SpectraBase Compound ID 7KSE2TpXl7x
InChI InChI=1S/C9H10O2S/c10-9(11)6-8(12)7-4-2-1-3-5-7/h1-5,8,12H,6H2,(H,10,11)
InChIKey JDGWMLZPJJXMCC-UHFFFAOYSA-N
Mol Weight 182.24 g/mol
Molecular Formula C9H10O2S
Exact Mass 182.040151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7oG882l16L
Name 3-Mercapto-3-phenylpropionic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O2S
InChI InChI=1S/C9H10O2S/c10-9(11)6-8(12)7-4-2-1-3-5-7/h1-5,8,12H,6H2,(H,10,11)
InChIKey JDGWMLZPJJXMCC-UHFFFAOYSA-N
Molecular Weight 182.237 g/mol
SMILES OC(CC(c1ccccc1)S)=O
SPLASH splash10-0a6r-4900000000-908eff3de7b6b854921b
Source of Spectrum J-58-6370-4
Synonyms 3-Mercapto-3-phenylpropanoic acid 3-Phenyl-3-sulfanyl-propanoic acid 3-Phenyl-3-sulfanylpropanoic acid
Wiley ID 1178109