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2-Heptanone, 3-methyl-7-phenyl-3-(phenylthio)-
SpectraBase Compound ID 2vlzu4TKA5v
InChI InChI=1S/C20H24OS/c1-17(21)20(2,22-19-14-7-4-8-15-19)16-10-9-13-18-11-5-3-6-12-18/h3-8,11-12,14-15H,9-10,13,16H2,1-2H3
InChIKey AUCNMKOGWFCYTB-UHFFFAOYSA-N
Mol Weight 312.47 g/mol
Molecular Formula C20H24OS
Exact Mass 312.154787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6W9kQVJexCv
Name 2-Heptanone, 3-methyl-7-phenyl-3-(phenylthio)-
Alternate Name(s) 2-Methyl-7-phenyl-2-phenylthioheptan-2-one 3-Methyl-7-phenyl-3-(phenylsulfanyl)-2-heptanone
CAS Registry Number 117749-80-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24OS
InChI InChI=1S/C20H24OS/c1-17(21)20(2,22-19-14-7-4-8-15-19)16-10-9-13-18-11-5-3-6-12-18/h3-8,11-12,14-15H,9-10,13,16H2,1-2H3
InChIKey AUCNMKOGWFCYTB-UHFFFAOYSA-N
Molecular Weight 312.471 g/mol
SMILES C(Sc1ccccc1)(C(=O)C)(CCCCc1ccccc1)C
SPLASH splash10-014l-7970000000-d45e3a5ae9a8bee1d069
Source of Spectrum KC-1987-2583-6
Wiley ID 1313674