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5-Mercapto-2-phenylhexanoic acid

View entire compound with spectra: 1 MS (GC)

5-Mercapto-2-phenylhexanoic acid
SpectraBase Compound ID EtIqWWfHYSo
InChI InChI=1S/C12H16O2S/c1-9(15)7-8-11(12(13)14)10-5-3-2-4-6-10/h2-6,9,11,15H,7-8H2,1H3,(H,13,14)
InChIKey RAKGBLLLQDNEFI-UHFFFAOYSA-N
Mol Weight 224.32 g/mol
Molecular Formula C12H16O2S
Exact Mass 224.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iw4HZm8T9Zj
Name 5-Mercapto-2-phenylhexanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2S
InChI InChI=1S/C12H16O2S/c1-9(15)7-8-11(12(13)14)10-5-3-2-4-6-10/h2-6,9,11,15H,7-8H2,1H3,(H,13,14)
InChIKey RAKGBLLLQDNEFI-UHFFFAOYSA-N
Molecular Weight 224.318 g/mol
SMILES SC(CCC(C(=O)O)c1ccccc1)C
SPLASH splash10-054w-9610000000-483cf4c772dbd540f2c6
Source of Spectrum F-53-5570-9
Synonyms 2-Phenyl-5-sulfanylhexanoic acid
Wiley ID 801647