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1,2-Dibenzyl-4-[3-(2,5-dimethoxyphenyl)-1-oxoprop-2-en-1-yl]benzene
SpectraBase Compound ID 5H8tF2nWDgX
InChI InChI=1S/C31H28O3/c1-33-29-16-18-31(34-2)27(22-29)15-17-30(32)26-14-13-25(19-23-9-5-3-6-10-23)28(21-26)20-24-11-7-4-8-12-24/h3-18,21-22H,19-20H2,1-2H3
InChIKey AIRMPLSLASCWIO-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 2KSm2krNLec
Name 1,2-Dibenzyl-4-[3-(2,5-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/c1-33-29-16-18-31(34-2)27(22-29)15-17-30(32)26-14-13-25(19-23-9-5-3-6-10-23)28(21-26)20-24-11-7-4-8-12-24/h3-18,21-22H,19-20H2,1-2H3
InChIKey AIRMPLSLASCWIO-UHFFFAOYSA-N
Molecular Weight 448.562 g/mol
SMILES C(c1ccccc1)c1c(cc(cc1)C(C=Cc1c(ccc(c1)OC)OC)=O)Cc1ccccc1
SPLASH splash10-0006-9000100000-bfa5f709ac081fb66b42
Source of Spectrum O1-31-1635-20
Wiley ID 818935