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

*Links on SpectraBase are not permalinks.

(2SR,3RS,4RS)-and (2RS,3SR,4RS)-4-Methyl-3,5,5-tris(phenylthio)octan-2-ol

View entire compound with spectra: 1 MS (GC)

(2SR,3RS,4RS)-and (2RS,3SR,4RS)-4-Methyl-3,5,5-tris(phenylthio)octan-2-ol
SpectraBase Compound ID 59PSaPvUL6
InChI InChI=1S/C27H32OS3/c1-4-20-27(30-24-16-10-6-11-17-24,31-25-18-12-7-13-19-25)21(2)26(22(3)28)29-23-14-8-5-9-15-23/h5-19,21-22,26,28H,4,20H2,1-3H3
InChIKey VFZQZUWTQYFSPR-UHFFFAOYSA-N
Mol Weight 468.7 g/mol
Molecular Formula C27H32OS3
Exact Mass 468.161529 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 c0CBr0ZZNH
Name (2SR,3RS,4RS)-and (2RS,3SR,4RS)-4-Methyl-3,5,5-tris(phenylthio)octan-2-ol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32OS3
InChI InChI=1S/C27H32OS3/c1-4-20-27(30-24-16-10-6-11-17-24,31-25-18-12-7-13-19-25)21(2)26(22(3)28)29-23-14-8-5-9-15-23/h5-19,21-22,26,28H,4,20H2,1-3H3
InChIKey VFZQZUWTQYFSPR-UHFFFAOYSA-N
Molecular Weight 468.732 g/mol
SMILES OC(C(C(C(Sc1ccccc1)(Sc1ccccc1)CCC)C)Sc1ccccc1)C
SPLASH splash10-03di-0900000000-ce26b9accaf56418577d
Source of Spectrum KC-0-2964-29d
Wiley ID 782363