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3-Heptanol, 2,6-dimethyl-2-(phenylthio)-
SpectraBase Compound ID ChTyVW8qF7M
InChI InChI=1S/C15H24OS/c1-12(2)10-11-14(16)15(3,4)17-13-8-6-5-7-9-13/h5-9,12,14,16H,10-11H2,1-4H3
InChIKey CPWHKWXEUFLDKU-UHFFFAOYSA-N
Mol Weight 252.42 g/mol
Molecular Formula C15H24OS
Exact Mass 252.154787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AXPk6F2PN2F
Name 3-Heptanol, 2,6-dimethyl-2-(phenylthio)-
CAS Registry Number 63996-44-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24OS
InChI InChI=1S/C15H24OS/c1-12(2)10-11-14(16)15(3,4)17-13-8-6-5-7-9-13/h5-9,12,14,16H,10-11H2,1-4H3
InChIKey CPWHKWXEUFLDKU-UHFFFAOYSA-N
Molecular Weight 252.416 g/mol
SMILES OC(C(Sc1ccccc1)(C)C)CCC(C)C
SPLASH splash10-0j4i-2900000000-e9c836f3020bc83638d1
Source of Spectrum KC-1977-1138-0
Synonyms 2,6-Dimethyl-2-(phenylsulfanyl)-3-heptanol 2,6-Dimethyl-2-(phenylthio)heptan-3-ol
Wiley ID 1255768