For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Benzenesulfonic acid, 4-methyl-, 8,8-diphenyloctyl ester
SpectraBase Compound ID 5XavmHWIosX
InChI InChI=1S/C27H32O3S/c1-23-18-20-26(21-19-23)31(28,29)30-22-12-4-2-3-11-17-27(24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-10,13-16,18-21,27H,2-4,11-12,17,22H2,1H3
InChIKey KLQQBHOFRLRGOC-UHFFFAOYSA-N
Mol Weight 436.6 g/mol
Molecular Formula C27H32O3S
Exact Mass 436.207216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2xh5mtnteFJ
Name Benzenesulfonic acid, 4-methyl-, 8,8-diphenyloctyl ester
Alternate Name(s) 4-Methylbenzenesulfonic acid 8,8-diphenyloctyl ester 8,8-Diphenyloctyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32O3S
InChI InChI=1S/C27H32O3S/c1-23-18-20-26(21-19-23)31(28,29)30-22-12-4-2-3-11-17-27(24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-10,13-16,18-21,27H,2-4,11-12,17,22H2,1H3
InChIKey KLQQBHOFRLRGOC-UHFFFAOYSA-N
Molecular Weight 436.610 g/mol
SMILES c1(ccc(C)cc1)S(=O)(=O)OCCCCCCCC(c1ccccc1)c1ccccc1
SPLASH splash10-014i-2900000000-f8de2a2d5b723087a491
Wiley ID 1478674