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3,5-Diethyl-4-(phenylthio)heptane-3,5-diol
SpectraBase Compound ID FqzrINjlxw5
InChI InChI=1S/C17H28O2S/c1-5-16(18,6-2)15(17(19,7-3)8-4)20-14-12-10-9-11-13-14/h9-13,15,18-19H,5-8H2,1-4H3
InChIKey UOWSLOQDSWRLFV-UHFFFAOYSA-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 HP0MBE6Z5kW
Name 3,5-Diethyl-4-(phenylthio)heptane-3,5-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O2S
InChI InChI=1S/C17H28O2S/c1-5-16(18,6-2)15(17(19,7-3)8-4)20-14-12-10-9-11-13-14/h9-13,15,18-19H,5-8H2,1-4H3
InChIKey UOWSLOQDSWRLFV-UHFFFAOYSA-N
Molecular Weight 296.469 g/mol
SMILES OC(C(C(CC)(O)CC)Sc1ccccc1)(CC)CC
SPLASH splash10-052f-9700000000-812ea82aa2a84f85ba40
Source of Spectrum KC-57-4418-8
Synonyms 3,5-Diethyl-4-phenylsulfanyl-heptane-3,5-diol
Wiley ID 1624173