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S-(4-tolyl) dodecanethioate

View entire compound with spectra: 1 MS (GC)

S-(4-tolyl) dodecanethioate
SpectraBase Compound ID KyQRkXVaixJ
InChI InChI=1S/C19H30OS/c1-3-4-5-6-7-8-9-10-11-12-19(20)21-18-15-13-17(2)14-16-18/h13-16H,3-12H2,1-2H3
InChIKey MAAFTIJVUBLBOL-UHFFFAOYSA-N
Mol Weight 306.51 g/mol
Molecular Formula C19H30OS
Exact Mass 306.201737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JD8vn1LEaNp
Name S-(4-tolyl) dodecanethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30OS
InChI InChI=1S/C19H30OS/c1-3-4-5-6-7-8-9-10-11-12-19(20)21-18-15-13-17(2)14-16-18/h13-16H,3-12H2,1-2H3
InChIKey MAAFTIJVUBLBOL-UHFFFAOYSA-N
Molecular Weight 306.508 g/mol
SMILES C(Sc1ccc(cc1)C)(=O)CCCCCCCCCCC
SPLASH splash10-00e9-0901000000-47bee7bbba1e21bca649
Source of Spectrum F-67-7858-34
Synonyms Dodecanethioic acid S-(4-methylphenyl) ester S-(p-tolyl) dodecanethioate S-(4-methylphenyl) dodecanethioate
Wiley ID 1691259