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3-Methyl-4-phenyl-2-phenylsulfanyl-hex-5-en-3-ol
SpectraBase Compound ID AD6IZ9gWGjl
InChI InChI=1S/C19H22OS/c1-4-18(16-11-7-5-8-12-16)19(3,20)15(2)21-17-13-9-6-10-14-17/h4-15,18,20H,1H2,2-3H3/t15-,18-,19-/m0/s1
InChIKey LCPPADNJSXUNMJ-SNRMKQJTSA-N
Mol Weight 298.44 g/mol
Molecular Formula C19H22OS
Exact Mass 298.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6tGpO1jHx4
Name 3-Methyl-4-phenyl-2-phenylsulfanyl-hex-5-en-3-ol
Alternate Name(s) (2S,3R,4S)-3-methyl-4-phenyl-2-(phenylthio)hex-5-en-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22OS
InChI InChI=1S/C19H22OS/c1-4-18(16-11-7-5-8-12-16)19(3,20)15(2)21-17-13-9-6-10-14-17/h4-15,18,20H,1H2,2-3H3/t15-,18-,19-/m0/s1
InChIKey LCPPADNJSXUNMJ-SNRMKQJTSA-N
Literature Reference DOI 10.1021/ol702607t
Molecular Weight 298.444 g/mol
SMILES O[C@@]([C@@](C=C)(c1ccccc1)[H])(C)[C@@](Sc1ccccc1)(C)[H]
SPLASH splash10-000x-7900000000-dcdaca55c575a615764a
Source of Spectrum A1-10-117/SMS12-9c
Wiley ID 1758960