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2-Hexanol, 5-methyl-3-[2-(phenylthio)ethenyl]-, [R*,S*-(Z)]-
SpectraBase Compound ID CocXidzaPrY
InChI InChI=1S/C15H22OS/c1-12(2)11-14(13(3)16)9-10-17-15-7-5-4-6-8-15/h4-10,12-14,16H,11H2,1-3H3/b10-9-/t13-,14-/m1/s1
InChIKey BKEIMHBYUOKVJW-YWOVDUEISA-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 AtCzTgH7gqK
Name 2-Hexanol, 5-methyl-3-[2-(phenylthio)ethenyl]-, [R*,S*-(Z)]-
CAS Registry Number 66165-12-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22OS
InChI InChI=1S/C15H22OS/c1-12(2)11-14(13(3)16)9-10-17-15-7-5-4-6-8-15/h4-10,12-14,16H,11H2,1-3H3/b10-9-/t13-,14-/m1/s1
InChIKey BKEIMHBYUOKVJW-YWOVDUEISA-N
Molecular Weight 250.400 g/mol
SMILES O[C@@]([C@](\C=C/Sc1ccccc1)(CC(C)C)[H])(C)[H]
SPLASH splash10-0002-5970000000-c076848d49f260c4ac42
Source of Spectrum KC-1977-20-2283
Synonyms (2R,3S,4Z)-3-isobutyl-5-(phenylsulfanyl)-4-penten-2-ol 3-(2-Methylpropyl)-5-(phenylthio)pent-4-en-2-ol
Wiley ID 1253525