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anti,anti-(2SR,3SR,4RS)-2,4,7-Trimethyl-4-phenylsulfanyloctane-1,3-diol
SpectraBase Compound ID SFYeNrzpgg
InChI InChI=1S/C17H28O2S/c1-13(2)10-11-17(4,16(19)14(3)12-18)20-15-8-6-5-7-9-15/h5-9,13-14,16,18-19H,10-12H2,1-4H3/t14-,16-,17+/m0/s1
InChIKey IYDAYASXMIIMQJ-BHYGNILZSA-N
Mol Weight 296.47 g/mol
Molecular Formula C17H28O2S
Exact Mass 296.181001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1byvbSTl4av
Name anti,anti-(2SR,3SR,4RS)-2,4,7-Trimethyl-4-phenylsulfanyloctane-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O2S
InChI InChI=1S/C17H28O2S/c1-13(2)10-11-17(4,16(19)14(3)12-18)20-15-8-6-5-7-9-15/h5-9,13-14,16,18-19H,10-12H2,1-4H3/t14-,16-,17+/m0/s1
InChIKey IYDAYASXMIIMQJ-BHYGNILZSA-N
Molecular Weight 296.469 g/mol
SMILES OC[C@@]([C@@]([C@](Sc1ccccc1)(CCC(C)C)C)(O)[H])(C)[H]
SPLASH splash10-08fs-5920000000-ef44540bfee2e5073214
Source of Spectrum KC-0-540-38
Synonyms anti,anti-(2S,3S,4R)-2,4,7-Trimethyl-4-phenylsulfanyloctane-1,3-diol (2S,3S,4R)-2,4,7-trimethyl-4-phenylsulfanyloctane-1,3-diol (2S,3S,4R)-2,4,7-trimethyl-4-phenylsulfanyl-octane-1,3-diol
Wiley ID 830022