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1-{[2-(Mercaptomethyl)phenyl]methyl}cyclopentanol
SpectraBase Compound ID 47VfoM28fgO
InChI InChI=1S/C13H18OS/c14-13(7-3-4-8-13)9-11-5-1-2-6-12(11)10-15/h1-2,5-6,14-15H,3-4,7-10H2
InChIKey UPLKHOWULHHDJQ-UHFFFAOYSA-N
Mol Weight 222.35 g/mol
Molecular Formula C13H18OS
Exact Mass 222.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89D9rWFdxFa
Name 1-{[2-(Mercaptomethyl)phenyl]methyl}cyclopentanol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18OS
InChI InChI=1S/C13H18OS/c14-13(7-3-4-8-13)9-11-5-1-2-6-12(11)10-15/h1-2,5-6,14-15H,3-4,7-10H2
InChIKey UPLKHOWULHHDJQ-UHFFFAOYSA-N
Molecular Weight 222.346 g/mol
SMILES OC1(Cc2c(CS)cccc2)CCCC1
SPLASH splash10-0udi-0900000000-c52575834407391190ef
Source of Spectrum J-61-1861-3g
Wiley ID 1222486