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anti-(1R,3R)-1-Cyclohexyl-3-mercapto-3-phenyl-1-propanol
SpectraBase Compound ID 7K8jihKjtZJ
InChI InChI=1S/C15H22OS/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h2,5-6,9-10,12,14-17H,1,3-4,7-8,11H2/t14-,15-/m1/s1
InChIKey ZOBCYXYSZHNMAF-HUUCEWRRSA-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 3zD9odu1aQj
Name anti-(1R,3R)-1-Cyclohexyl-3-mercapto-3-phenyl-1-propanol
Alternate Name(s) (1R,3R)-1-cyclohexyl-3-phenyl-3-sulfanyl-1-propanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22OS
InChI InChI=1S/C15H22OS/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h2,5-6,9-10,12,14-17H,1,3-4,7-8,11H2/t14-,15-/m1/s1
InChIKey ZOBCYXYSZHNMAF-HUUCEWRRSA-N
Molecular Weight 250.400 g/mol
SMILES S[C@](C[C@@](O)(C1CCCCC1)[H])(c1ccccc1)[H]
SPLASH splash10-0a4i-9810000000-056315a34ad9b21befef
Source of Spectrum KD-15-902-3
Wiley ID 1636845