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1,2-Dibenzyl-4-[3-(2,3-dimethoxyphenyl)-1-oxoprop-2-en-1-yl]benzene
SpectraBase Compound ID B1yHpGWyEpp
InChI InChI=1S/C31H28O3/c1-33-30-15-9-14-25(31(30)34-2)18-19-29(32)27-17-16-26(20-23-10-5-3-6-11-23)28(22-27)21-24-12-7-4-8-13-24/h3-19,22H,20-21H2,1-2H3
InChIKey PCDUTMVYKRILSH-UHFFFAOYSA-N
Mol Weight 448.56 g/mol
Molecular Formula C31H28O3
Exact Mass 448.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A4bBDyPizIK
Name 1,2-Dibenzyl-4-[3-(2,3-dimethoxyphenyl)-1-oxoprop-2-en-1-yl]benzene
Comments Note: The molecular formula of the structure shown is C31H28O3 - which differs from the formula reported for the mass spectrum (C31H28O5)
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Formula C31H28O5
InChI InChI=1S/C31H28O3/c1-33-30-15-9-14-25(31(30)34-2)18-19-29(32)27-17-16-26(20-23-10-5-3-6-11-23)28(22-27)21-24-12-7-4-8-13-24/h3-19,22H,20-21H2,1-2H3
InChIKey PCDUTMVYKRILSH-UHFFFAOYSA-N
Molecular Weight 448.562 g/mol
SMILES C(c1ccccc1)c1c(cc(cc1)C(C=Cc1c(c(ccc1)OC)OC)=O)Cc1ccccc1
SPLASH splash10-0006-9000100000-899758b0828a76e6aa21
Source of Spectrum O1-31-1635-19
Wiley ID 818936