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2-Heptanol, 3,6-dimethyl-3-(phenylthio)-
SpectraBase Compound ID Cb9O0PrcoyF
InChI InChI=1S/C15H24OS/c1-12(2)10-11-15(4,13(3)16)17-14-8-6-5-7-9-14/h5-9,12-13,16H,10-11H2,1-4H3
InChIKey HCNWRSKXVPBSHQ-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 4objCapLK6O
Name 2-Heptanol, 3,6-dimethyl-3-(phenylthio)-
CAS Registry Number 63996-45-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24OS
InChI InChI=1S/C15H24OS/c1-12(2)10-11-15(4,13(3)16)17-14-8-6-5-7-9-14/h5-9,12-13,16H,10-11H2,1-4H3
InChIKey HCNWRSKXVPBSHQ-UHFFFAOYSA-N
Molecular Weight 252.416 g/mol
SMILES OC(C(Sc1ccccc1)(CCC(C)C)C)C
SPLASH splash10-01ox-9310000000-3b7e5683adef9c2185a6
Source of Spectrum KC-1977-1138-0
Synonyms 3,6-Dimethyl-3-(phenylsulfanyl)-2-heptanol 3,6-Dimethyl-3-(phenylthio)hepten-2-ol
Wiley ID 1255767