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1,7-Diphenyl-4-phenylthiomethyleneheptane-1,7-dione
SpectraBase Compound ID DKmC7RCViEB
InChI InChI=1S/C26H24O2S/c27-25(22-10-4-1-5-11-22)18-16-21(20-29-24-14-8-3-9-15-24)17-19-26(28)23-12-6-2-7-13-23/h1-15,20H,16-19H2
InChIKey MLNXTONVGLVUCL-UHFFFAOYSA-N
Mol Weight 400.54 g/mol
Molecular Formula C26H24O2S
Exact Mass 400.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BrifzbB4vrN
Name 1,7-Diphenyl-4-phenylthiomethyleneheptane-1,7-dione
Alternate Name(s) 1,7-Diphenyl-4-[(phenylsulfanyl)methylene]-1,7-heptanedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24O2S
InChI InChI=1S/C26H24O2S/c27-25(22-10-4-1-5-11-22)18-16-21(20-29-24-14-8-3-9-15-24)17-19-26(28)23-12-6-2-7-13-23/h1-15,20H,16-19H2
InChIKey MLNXTONVGLVUCL-UHFFFAOYSA-N
Molecular Weight 400.536 g/mol
SMILES C(=C(CCC(=O)c1ccccc1)CCC(=O)c1ccccc1)Sc1ccccc1
SPLASH splash10-0a4i-2903100000-f917ffc63a51d6a2635d
Source of Spectrum F-50-9373-10
Wiley ID 1369610