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Thiobenzoic acid, S-octyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

Thiobenzoic acid, S-octyl ester
SpectraBase Compound ID KnaTI4HwV4Z
InChI InChI=1S/C15H22OS/c1-2-3-4-5-6-10-13-17-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3
InChIKey RBWOKKSOBWYZQH-UHFFFAOYSA-N
Mol Weight 250.4 g/mol
Molecular Formula C15H22OS
Exact Mass 250.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1G0gd7rXeoc
Name benzenecarbothioic acid S-octyl ester
Alternate Name(s) S-octyl benzenecarbothioate thiobenzoic acid S-octyl ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22OS
InChI InChI=1S/C15H22OS/c1-2-3-4-5-6-10-13-17-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3
InChIKey RBWOKKSOBWYZQH-UHFFFAOYSA-N
Molecular Weight 250.400 g/mol
SMILES C(=O)(c1ccccc1)SCCCCCCCC
SPLASH splash10-0a4i-0900000000-e01315362fc592f3e57d
Source of Spectrum F-70-3146-10
Wiley ID 1596677