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

*Links on SpectraBase are not permalinks.

(2S,3S,4R)-2,4-dimethyl-4-(phenylthio)hexane-1,3-diol

View entire compound with spectra: 1 MS (GC)

(2S,3S,4R)-2,4-dimethyl-4-(phenylthio)hexane-1,3-diol
SpectraBase Compound ID 2LGkPFszoZE
InChI InChI=1S/C14H22O2S/c1-4-14(3,13(16)11(2)10-15)17-12-8-6-5-7-9-12/h5-9,11,13,15-16H,4,10H2,1-3H3/t11-,13-,14+/m0/s1
InChIKey AMBXGMRNTXMCRY-FPMFFAJLSA-N
Mol Weight 254.39 g/mol
Molecular Formula C14H22O2S
Exact Mass 254.134051 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 K0uoMhtD9nO
Name (2S,3S,4R)-2,4-dimethyl-4-(phenylthio)hexane-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O2S
InChI InChI=1S/C14H22O2S/c1-4-14(3,13(16)11(2)10-15)17-12-8-6-5-7-9-12/h5-9,11,13,15-16H,4,10H2,1-3H3/t11-,13-,14+/m0/s1
InChIKey AMBXGMRNTXMCRY-FPMFFAJLSA-N
Molecular Weight 254.388 g/mol
SMILES OC[C@@]([C@@]([C@](Sc1ccccc1)(CC)C)(O)[H])(C)[H]
SPLASH splash10-02t9-3900000000-68610ec8e769f6519cb1
Source of Spectrum KC-0-540-33
Synonyms (2S,3S,4R)-2,4-dimethyl-4-phenylsulfanyl-hexane-1,3-diol
Wiley ID 830029