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3-(2,6-Dimethylphenylthio)butanoic acid

View entire compound with spectra: 1 MS (GC)

3-(2,6-Dimethylphenylthio)butanoic acid
SpectraBase Compound ID 5lu6GFKuALN
InChI InChI=1S/C12H16O2S/c1-8-5-4-6-9(2)12(8)15-10(3)7-11(13)14/h4-6,10H,7H2,1-3H3,(H,13,14)
InChIKey VEDVDHJOYYDPNS-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 Hs5U1Zd8Qr6
Name 3-(2,6-Dimethylphenylthio)butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2S
InChI InChI=1S/C12H16O2S/c1-8-5-4-6-9(2)12(8)15-10(3)7-11(13)14/h4-6,10H,7H2,1-3H3,(H,13,14)
InChIKey VEDVDHJOYYDPNS-UHFFFAOYSA-N
Molecular Weight 224.318 g/mol
SMILES OC(CC(C)Sc1c(cccc1C)C)=O
SPLASH splash10-000i-0920000000-b33d39c856073be71dd7
Source of Spectrum SO-0-84-2
Synonyms 3-[(2,6-dimethylphenyl)sulfanyl]butanoic acid
Wiley ID 1542872