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(E,E)-3,7-dimethyl-9-(phenylthio)nona-3,7-dienol
SpectraBase Compound ID 3E3mW1XPcnK
InChI InChI=1S/C17H24OS/c1-15(11-13-18)7-6-8-16(2)12-14-19-17-9-4-3-5-10-17/h3-5,7,9-10,12,18H,6,8,11,13-14H2,1-2H3/b15-7+,16-12+
InChIKey VBVCXYPZAHDVPZ-QGHKEMITSA-N
Mol Weight 276.44 g/mol
Molecular Formula C17H24OS
Exact Mass 276.154787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Atn91LwTJeQ
Name (E,E)-3,7-dimethyl-9-(phenylthio)nona-3,7-dienol
CAS Registry Number 97634-59-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24OS
InChI InChI=1S/C17H24OS/c1-15(11-13-18)7-6-8-16(2)12-14-19-17-9-4-3-5-10-17/h3-5,7,9-10,12,18H,6,8,11,13-14H2,1-2H3/b15-7+,16-12+
InChIKey VBVCXYPZAHDVPZ-QGHKEMITSA-N
Molecular Weight 276.438 g/mol
SMILES OCC\C(=C\CC\C(=C\CSc1ccccc1)C)C
SPLASH splash10-01q9-9500000000-db834d21fabb96cd6ca4
Source of Spectrum J-50-3772-18
Synonyms (3E,7E)-3,7-dimethyl-9-(phenylsulfanyl)-3,7-nonadien-1-ol
Wiley ID 1280300