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(2E,6E)-2,6-bis(4-methylbenzylidene)cyclohexanone

View entire compound with spectra: 2 NMR

(2E,6E)-2,6-bis(4-methylbenzylidene)cyclohexanone
SpectraBase Compound ID CSKojUXXLju
InChI InChI=1S/C22H22O/c1-16-6-10-18(11-7-16)14-20-4-3-5-21(22(20)23)15-19-12-8-17(2)9-13-19/h6-15H,3-5H2,1-2H3/b20-14+,21-15+
InChIKey CETXDHNPPYXEOF-OZNQKUEASA-N
Mol Weight 302.42 g/mol
Molecular Formula C22H22O
Exact Mass 302.167065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D3ZzHteUIOm
Name (2E,6E)-2,6-bis(4-Methylbenzylidene)cyclohexanone
Comments Computed using HOSE algorithm
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Exact Mass 302.167065327 u
Formula C22H22O
InChI InChI=1S/C22H22O/c1-16-6-10-18(11-7-16)14-20-4-3-5-21(22(20)23)15-19-12-8-17(2)9-13-19/h6-15H,3-5H2,1-2H3/b20-14+,21-15+
InChIKey CETXDHNPPYXEOF-OZNQKUEASA-N
Molecular Weight 302.417 g/mol
SMILES C1(\C(CCC\C1=C\C1=CC=C(C=C1)C)=C\C1=CC=C(C)C=C1)=O