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2-Pentanol, 2-methyl-1-[(phenylmethyl)thio]-, (S)-
SpectraBase Compound ID JU36IDykStH
InChI InChI=1S/C13H20OS/c1-3-9-13(2,14)11-15-10-12-7-5-4-6-8-12/h4-8,14H,3,9-11H2,1-2H3
InChIKey YCQGCOVBWKFEMZ-UHFFFAOYSA-N
Mol Weight 224.36 g/mol
Molecular Formula C13H20OS
Exact Mass 224.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EEpIoIte3ZT
Name 2-Pentanol, 2-methyl-1-[(phenylmethyl)thio]-, (S)-
Alternate Name(s) 1-(Benzylsulfanyl)-2-methyl-2-pentanol 1-(benzylthio)-2-methyl-pentan-2-ol 1-Benzylsulfanyl-2-methylpentan-2-ol 2-Methyl-1-(phenylmethylsulfanyl)pentan-2-ol 2-Methyl-1-(phenylmethylthio)-2-pentanol
CAS Registry Number 89968-73-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20OS
InChI InChI=1S/C13H20OS/c1-3-9-13(2,14)11-15-10-12-7-5-4-6-8-12/h4-8,14H,3,9-11H2,1-2H3
InChIKey YCQGCOVBWKFEMZ-UHFFFAOYSA-N
Molecular Weight 224.362 g/mol
SMILES OC(CSCc1ccccc1)(C)CCC
SPLASH splash10-000f-9300000000-f5d89c46ddbe363c38ed
Wiley ID 1484488