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Benzenesulfonic acid, 4-methyl-, 8,8-diphenyloctyl ester

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

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)

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SpectraBase Spectrum ID BVobi8lVboc
Name
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. 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 436.2064
SMILES c1(S(OCCCCCCCC(c2ccccc2)c2ccccc2)(=O)=O)ccc(C)cc1
SPLASH splash10-014i-2900000000-7a1075a1c649d5f1e59d
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany