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5-Hexen-2-ol, 4,4-dimethyl-3-(phenylthio)-
SpectraBase Compound ID HFlMQobqgJq
InChI InChI=1S/C14H20OS/c1-5-14(3,4)13(11(2)15)16-12-9-7-6-8-10-12/h5-11,13,15H,1H2,2-4H3
InChIKey BQZHWDWCTXIUQP-UHFFFAOYSA-N
Mol Weight 236.37 g/mol
Molecular Formula C14H20OS
Exact Mass 236.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BaTWBMUCOEN
Name 5-Hexen-2-ol, 4,4-dimethyl-3-(phenylthio)-
Alternate Name(s) 4,4-Dimethyl-3-(phenylsulfanyl)-5-hexen-2-ol 4,4-Dimethyl-3-phenylthiohex-5-en-2-ol
CAS Registry Number 108362-42-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20OS
InChI InChI=1S/C14H20OS/c1-5-14(3,4)13(11(2)15)16-12-9-7-6-8-10-12/h5-11,13,15H,1H2,2-4H3
InChIKey BQZHWDWCTXIUQP-UHFFFAOYSA-N
Molecular Weight 236.373 g/mol
SMILES OC(C(Sc1ccccc1)C(C=C)(C)C)C
SPLASH splash10-02ta-0900000000-c891ad13e2cb4536a7e5
Source of Spectrum KC-1986-1701-0
Wiley ID 1238298