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benzenecarbothioic acid S-decyl ester

View entire compound with spectra: 1 MS (GC)

benzenecarbothioic acid S-decyl ester
SpectraBase Compound ID 4TVls4esbQh
InChI InChI=1S/C17H26OS/c1-2-3-4-5-6-7-8-12-15-19-17(18)16-13-10-9-11-14-16/h9-11,13-14H,2-8,12,15H2,1H3
InChIKey DOUFIPAKOOOUTB-UHFFFAOYSA-N
Mol Weight 278.45 g/mol
Molecular Formula C17H26OS
Exact Mass 278.170437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D85AibXauaq
Name benzenecarbothioic acid S-decyl ester
Alternate Name(s) S-decyl benzenecarbothioate thiobenzoic acid S-decyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26OS
InChI InChI=1S/C17H26OS/c1-2-3-4-5-6-7-8-12-15-19-17(18)16-13-10-9-11-14-16/h9-11,13-14H,2-8,12,15H2,1H3
InChIKey DOUFIPAKOOOUTB-UHFFFAOYSA-N
Molecular Weight 278.454 g/mol
SMILES C(=O)(c1ccccc1)SCCCCCCCCCC
SPLASH splash10-0a4i-1900000000-f967ee68a5a75c68a4e7
Source of Spectrum SO-0-313-1
Wiley ID 1611898