SpectraBase Spectrum ID |
RiES496VCE |
Name |
5,7-Dimethoxy-2-(4-methoxyphenyl)-8-[(E)-2-(4-methoxyphenyl)-1-salicyloyl-vinyl]chroman-4-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
566.194067918 u |
Formula |
C34H30O8 |
InChI |
InChI=1S/C34H30O8/c1-38-22-13-9-20(10-14-22)17-25(33(37)24-7-5-6-8-26(24)35)31-29(40-3)19-30(41-4)32-27(36)18-28(42-34(31)32)21-11-15-23(39-2)16-12-21/h5-17,19,28,35H,18H2,1-4H3/b25-17+ |
InChIKey |
RGKAPRHAWMOAFC-KOEQRZSOSA-N |
Molecular Weight |
566.606 g/mol |
SMILES |
C=1(\C(C(C=2C(O)=CC=CC2)=O)=C/C2=CC=C(C=C2)OC)C2=C(C(=O)CC(O2)C2=CC=C(C=C2)OC)C(=CC1OC)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905074 |