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1,3-Bis(benzylidene)-4-methylcyclohexan-2-one
SpectraBase Compound ID 1KxY6gu7KXS
InChI InChI=1S/C21H20O/c1-16-12-13-19(14-17-8-4-2-5-9-17)21(22)20(16)15-18-10-6-3-7-11-18/h2-11,14-16H,12-13H2,1H3/b19-14+,20-15-
InChIKey CLIGIHASZVYIMB-WOBBTWAASA-N
Mol Weight 288.39 g/mol
Molecular Formula C21H20O
Exact Mass 288.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4kOwikaTW2i
Name 1,3-Bis(benzylidene)-4-methylcyclohexan-2-one
Alternate Name(s) (2Z,6E)-2,6-dibenzylidene-3-methylcyclohexanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O
InChI InChI=1S/C21H20O/c1-16-12-13-19(14-17-8-4-2-5-9-17)21(22)20(16)15-18-10-6-3-7-11-18/h2-11,14-16H,12-13H2,1H3/b19-14+,20-15-
InChIKey CLIGIHASZVYIMB-WOBBTWAASA-N
Molecular Weight 288.390 g/mol
SMILES C1(\C(C(CC\C1=C\c1ccccc1)C)=C/c1ccccc1)=O
SPLASH splash10-000i-0090000000-9cd999a8509373d062d5
Source of Spectrum SO-0-388-3
Wiley ID 1543092