SpectraBase Spectrum ID |
8af7KR2LzQX |
Name |
1,2-Dibenzyl-4-[3-(3,4-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 © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C31H28O5 |
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 |
SMILES |
C(c1ccccc1)c1c(cc(cc1)C(C=Cc1cc(c(cc1)OC)OC)=O)Cc1ccccc1 |
SPLASH |
splash10-000f-9008100000-54e72dfef9a391ffdf6e |
Source of Spectrum |
O1-31-1635-17 |
Wiley ID |
818938 |