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3-Pentanone, 2-methyl-4-phenyl-2-(phenylthio)-
SpectraBase Compound ID 88cb90IIqno
InChI InChI=1S/C18H20OS/c1-14(15-10-6-4-7-11-15)17(19)18(2,3)20-16-12-8-5-9-13-16/h4-14H,1-3H3
InChIKey BGECVBDKGDZDSQ-UHFFFAOYSA-N
Mol Weight 284.42 g/mol
Molecular Formula C18H20OS
Exact Mass 284.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9i3lqZlzdyS
Name 3-Pentanone, 2-methyl-4-phenyl-2-(phenylthio)-
CAS Registry Number 109328-58-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20OS
InChI InChI=1S/C18H20OS/c1-14(15-10-6-4-7-11-15)17(19)18(2,3)20-16-12-8-5-9-13-16/h4-14H,1-3H3
InChIKey BGECVBDKGDZDSQ-UHFFFAOYSA-N
Molecular Weight 284.417 g/mol
SMILES C(C(Sc1ccccc1)(C)C)(C(c1ccccc1)C)=O
SPLASH splash10-0zfr-0910000000-b19e17132e1de79df0d1
Source of Spectrum KC-1986-1944-21
Synonyms 2-Methyl-4-phenyl-2-(phenylsulfanyl)-3-pentanone 2-Methyl-4-phenyl-2-phenylthiopentan-3-one
Wiley ID 1288225