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

View entire compound with spectra: 1 MS (GC)

(2R,3S,4R)-2,4-dimethyl-4-phenylsulfanyl-hexane-1,3-diol
SpectraBase Compound ID KklVA4PEs3
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-/m1/s1
InChIKey AMBXGMRNTXMCRY-KWCYVHTRSA-N
Mol Weight 254.39 g/mol
Molecular Formula C14H22O2S
Exact Mass 254.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1KesFEDm8Lq
Name (2R,3S,4R)-2,4-dimethyl-4-phenylsulfanyl-hexane-1,3-diol
Alternate Name(s) (2R,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-/m1/s1
InChIKey AMBXGMRNTXMCRY-KWCYVHTRSA-N
Molecular Weight 254.388 g/mol
SMILES OC[C@]([C@@]([C@](Sc1ccccc1)(CC)C)(O)[H])(C)[H]
SPLASH splash10-03xr-0900000000-6d2b275884d1fbaf0549
Source of Spectrum KC-0-540-33
Wiley ID 830028