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1-{[2-(2-Mercaptoethyl)phenyl]methyl}cyclopentanol
SpectraBase Compound ID 2WOeHil35iv
InChI InChI=1S/C14H20OS/c15-14(8-3-4-9-14)11-13-6-2-1-5-12(13)7-10-16/h1-2,5-6,15-16H,3-4,7-11H2
InChIKey YXZXLEQHJSFWPQ-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 AuMfhb0Xdov
Name 1-{[2-(2-Mercaptoethyl)phenyl]methyl}cyclopentanol
Alternate Name(s) 1-[[2-(2-mercaptoethyl)phenyl]methyl]-1-cyclopentanol 1-[[2-(2-Sulfanylethyl)phenyl]methyl]cyclopentanol 1-[[2-(2-sulfanylethyl)phenyl]methyl]cyclopentan-1-ol
Comments Less than 3 mono-isotopic peaks
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Formula C14H20OS
InChI InChI=1S/C14H20OS/c15-14(8-3-4-9-14)11-13-6-2-1-5-12(13)7-10-16/h1-2,5-6,15-16H,3-4,7-11H2
InChIKey YXZXLEQHJSFWPQ-UHFFFAOYSA-N
Molecular Weight 236.373 g/mol
SMILES OC1(Cc2c(CCS)cccc2)CCCC1
SPLASH splash10-0a4i-0900000000-ab4d247e785e2214d851
Source of Spectrum J-61-1862-9jb
Wiley ID 1222485