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Cycloheptanol, 1-[(phenylthio)methyl]-
SpectraBase Compound ID 6hjF9TiYpSw
InChI InChI=1S/C14H20OS/c15-14(10-6-1-2-7-11-14)12-16-13-8-4-3-5-9-13/h3-5,8-9,15H,1-2,6-7,10-12H2
InChIKey QXADFVHTJSOBLT-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 2v6tOjoCphY
Name Cycloheptanol, 1-[(phenylthio)methyl]-
CAS Registry Number 101704-20-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20OS
InChI InChI=1S/C14H20OS/c15-14(10-6-1-2-7-11-14)12-16-13-8-4-3-5-9-13/h3-5,8-9,15H,1-2,6-7,10-12H2
InChIKey QXADFVHTJSOBLT-UHFFFAOYSA-N
Molecular Weight 236.373 g/mol
SMILES OC1(CSc2ccccc2)CCCCCC1
SPLASH splash10-00di-2900000000-c73ed9b912e8cd1f548f
Source of Spectrum KC-1989-307-17
Synonyms 1-(Phenylsulfanylmethyl)cycloheptan-1-ol 1-[(phenylthio)methyl]-1-cycloheptanol 1-[(Phenylthio)methyl]cycloheptanol
Wiley ID 1238300