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2-(pentylthio)benzoic acid

View entire compound with spectra: 1 MS (GC)

2-(pentylthio)benzoic acid
SpectraBase Compound ID 76VvShmp05M
InChI InChI=1S/C12H16O2S/c1-2-3-6-9-15-11-8-5-4-7-10(11)12(13)14/h4-5,7-8H,2-3,6,9H2,1H3,(H,13,14)
InChIKey TUEMSOTZKIKVEU-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 CV42aMDCOYN
Name 2-(pentylthio)benzoic acid
Alternate Name(s) 2-Pentylsulfanylbenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2S
InChI InChI=1S/C12H16O2S/c1-2-3-6-9-15-11-8-5-4-7-10(11)12(13)14/h4-5,7-8H,2-3,6,9H2,1H3,(H,13,14)
InChIKey TUEMSOTZKIKVEU-UHFFFAOYSA-N
Molecular Weight 224.318 g/mol
SMILES OC(c1c(SCCCCC)cccc1)=O
SPLASH splash10-000i-4920000000-b40266d0c676a9affddc
Source of Spectrum JX-2015-0-626
Wiley ID 1720544