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2-Pentanol, 3,4-dimethyl-3-(phenylthio)-
SpectraBase Compound ID 7gIR5ed53Pq
InChI InChI=1S/C13H20OS/c1-10(2)13(4,11(3)14)15-12-8-6-5-7-9-12/h5-11,14H,1-4H3
InChIKey BJFZEFCRWWCHGE-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 KUJQb3v9nth
Name 2-Pentanol, 3,4-dimethyl-3-(phenylthio)-
CAS Registry Number 63996-65-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20OS
InChI InChI=1S/C13H20OS/c1-10(2)13(4,11(3)14)15-12-8-6-5-7-9-12/h5-11,14H,1-4H3
InChIKey BJFZEFCRWWCHGE-UHFFFAOYSA-N
Molecular Weight 224.362 g/mol
SMILES OC(C(Sc1ccccc1)(C(C)C)C)C
SPLASH splash10-01t9-1910000000-638cface94dbbf0b1408
Source of Spectrum KC-1977-1139-0
Synonyms 3,4-Dimethyl-3-(phenylsulfanyl)-2-pentanol 3,4-Dimethyl-3-(phenylthio)pentan-2-ol
Wiley ID 1225191