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1,2-Dibenzyl-4-[3-(3,4-dimethoxyphenyl)-1-oxoprop-2-en-1-yl]benzene
SpectraBase Compound ID EOdTa1DIGKl
InChI InChI=1S/C31H28O3/c1-33-30-18-14-25(21-31(30)34-2)13-17-29(32)27-16-15-26(19-23-9-5-3-6-10-23)28(22-27)20-24-11-7-4-8-12-24/h3-18,21-22H,19-20H2,1-2H3
InChIKey PEXKTQNCDPWDKM-UHFFFAOYSA-N
Mol Weight 448.56 g/mol
Molecular Formula C31H28O3
Exact Mass 448.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID o4Jv12UGHT
Name 1,2-Dibenzyl-4-[3-(3,4-dimethoxyphenyl)-1-oxoprop-2-en-1-yl]benzene
Comments Computed using HOSE algorithm
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Exact Mass 448.203844759 u
Formula C31H28O3
InChI InChI=1S/C31H28O3/c1-33-30-18-14-25(21-31(30)34-2)13-17-29(32)27-16-15-26(19-23-9-5-3-6-10-23)28(22-27)20-24-11-7-4-8-12-24/h3-18,21-22H,19-20H2,1-2H3
InChIKey PEXKTQNCDPWDKM-UHFFFAOYSA-N
Molecular Weight 448.562 g/mol
Nominal Mass 448 u
SMILES C(C1=CC=CC=C1)C1=C(C=C(C=C1)C(\C=C\C1=CC(=C(C=C1)OC)OC)=O)CC1=CC=CC=C1