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) |
Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
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 |