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4-Octen-2-ol, 7-methyl-3-(phenylthio)-, [R*,S*-(E)]-
SpectraBase Compound ID B0sWgJ38ZWE
InChI InChI=1S/C15H22OS/c1-12(2)8-7-11-15(13(3)16)17-14-9-5-4-6-10-14/h4-7,9-13,15-16H,8H2,1-3H3/b11-7+/t13-,15+/m0/s1
InChIKey INXLFPMMIJJEBB-SQIFRAFTSA-N
Mol Weight 250.4 g/mol
Molecular Formula C15H22OS
Exact Mass 250.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2GJAMWV2K1b
Name 4-Octen-2-ol, 7-methyl-3-(phenylthio)-, [R*,S*-(E)]-
CAS Registry Number 66165-08-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22OS
InChI InChI=1S/C15H22OS/c1-12(2)8-7-11-15(13(3)16)17-14-9-5-4-6-10-14/h4-7,9-13,15-16H,8H2,1-3H3/b11-7+/t13-,15+/m0/s1
InChIKey INXLFPMMIJJEBB-SQIFRAFTSA-N
Molecular Weight 250.400 g/mol
SMILES O[C@]([C@](Sc1ccccc1)(\C=C\CC(C)C)[H])(C)[H]
SPLASH splash10-08fu-5950000000-0443c7e1b2b05102de76
Source of Spectrum KC-1977-20-2284
Synonyms (2S,3R,4E)-7-methyl-3-(phenylsulfanyl)-4-octen-2-ol 7-Methyl-3-(phenylthio)oct-4-en-2-ol
Wiley ID 1253526