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Cyclooctanol, 1-methyl-2-(phenylthio)-, cis-(.+-.)-
SpectraBase Compound ID 8dVvA8rhRqS
InChI InChI=1S/C15H22OS/c1-15(16)12-8-3-2-7-11-14(15)17-13-9-5-4-6-10-13/h4-6,9-10,14,16H,2-3,7-8,11-12H2,1H3/t14-,15+/m0/s1
InChIKey FIDNTPQWDFHBHU-LSDHHAIUSA-N
Mol Weight 250.4 g/mol
Molecular Formula C15H22OS
Exact Mass 250.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9zbUVY31kos
Name Cyclooctanol, 1-methyl-2-(phenylthio)-, cis-(.+-.)-
Alternate Name(s) (1R,2S)-1-methyl-2-(phenylsulfanyl)cyclooctanol (1RS,2SR)-1-methyl-2-phenylthiocyclo-octanol
CAS Registry Number 125334-90-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22OS
InChI InChI=1S/C15H22OS/c1-15(16)12-8-3-2-7-11-14(15)17-13-9-5-4-6-10-13/h4-6,9-10,14,16H,2-3,7-8,11-12H2,1H3/t14-,15+/m0/s1
InChIKey FIDNTPQWDFHBHU-LSDHHAIUSA-N
Molecular Weight 250.400 g/mol
SMILES O[C@]1([C@@](Sc2ccccc2)(CCCCCC1)[H])C
SPLASH splash10-03di-4940000000-44fc6d4cb45d652a0fee
Source of Spectrum KC-1989-307-7
Wiley ID 1253530