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o-(hexadecylthio)benzoic acid
SpectraBase Compound ID LEl7BkVJjMA
InChI InChI=1S/C23H38O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-26-22-19-16-15-18-21(22)23(24)25/h15-16,18-19H,2-14,17,20H2,1H3,(H,24,25)
InChIKey BRIKRLUEFVZEQK-UHFFFAOYSA-N
Mol Weight 378.6 g/mol
Molecular Formula C23H38O2S
Exact Mass 378.259252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6TBx64Egitu
Name Benzoic acid, o-(hexadecylthio)-
Alternate Name(s) 2-(Hexadecylsulfanyl)benzoic acid 2-(cetylthio)benzoic acid 2-(hexadecylthio)benzoic acid
CAS Registry Number 2182-24-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H38O2S
InChI InChI=1S/C23H38O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-26-22-19-16-15-18-21(22)23(24)25/h15-16,18-19H,2-14,17,20H2,1H3,(H,24,25)
InChIKey BRIKRLUEFVZEQK-UHFFFAOYSA-N
Molecular Weight 378.615 g/mol
SMILES OC(c1ccccc1SCCCCCCCCCCCCCCCC)=O
SPLASH splash10-052u-9600000000-f565d9930eb01cc1adbc
Source of Spectrum W5-32544-0-0
Wiley ID 1358965