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Propenone, 1-(4-cyclohexylphenyl)-3-(3,4-methylenedioxyphenyl)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Propenone, 1-(4-cyclohexylphenyl)-3-(3,4-methylenedioxyphenyl)-
SpectraBase Compound ID JxcctLHT868
InChI InChI=1S/C22H22O3/c23-20(12-6-16-7-13-21-22(14-16)25-15-24-21)19-10-8-18(9-11-19)17-4-2-1-3-5-17/h6-14,17H,1-5,15H2/b12-6-
InChIKey GKCFECRNPXEKRT-SDQBBNPISA-N
Mol Weight 334.42 g/mol
Molecular Formula C22H22O3
Exact Mass 334.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4lwl7tHEZXh
Name Propenone, 1-(4-cyclohexylphenyl)-3-(3,4-methylenedioxyphenyl)-
Comments Computed using HOSE algorithm
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Exact Mass 334.156894565 u
Formula C22H22O3
InChI InChI=1S/C22H22O3/c23-20(12-6-16-7-13-21-22(14-16)25-15-24-21)19-10-8-18(9-11-19)17-4-2-1-3-5-17/h6-14,17H,1-5,15H2/b12-6-
InChIKey GKCFECRNPXEKRT-SDQBBNPISA-N
Molecular Weight 334.415 g/mol
SMILES C(\C=C/C=1C=C2OCOC2=CC1)(C1=CC=C(C2CCCCC2)C=C1)=O