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4-Octanone, 7-methyl-2-(phenylthio)-
SpectraBase Compound ID 1HtU1nNCFiL
InChI InChI=1S/C15H22OS/c1-12(2)9-10-14(16)11-13(3)17-15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3
InChIKey OCMYBUVGZGVXPG-UHFFFAOYSA-N
Mol Weight 250.4 g/mol
Molecular Formula C15H22OS
Exact Mass 250.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTbm7io2YT
Name 4-Octanone, 7-methyl-2-(phenylthio)-
CAS Registry Number 98711-71-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22OS
InChI InChI=1S/C15H22OS/c1-12(2)9-10-14(16)11-13(3)17-15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3
InChIKey OCMYBUVGZGVXPG-UHFFFAOYSA-N
Molecular Weight 250.400 g/mol
SMILES C(Sc1ccccc1)(CC(=O)CCC(C)C)C
SPLASH splash10-0w91-8940000000-3a938acc556ec54653bf
Source of Spectrum KC-1985-1241-31
Synonyms 7-Methyl-2-(phenylsulfanyl)-4-octanone 7-Methyl-2-phenylthiooctan-4-one
Wiley ID 1253529