| SpectraBase Spectrum ID |
8Bv8brNNSYm |
| Name |
3-(3'',4'',5''-Trimethoxyphenyl)diosmetin 7,3'-dibenzyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
646.220282666 u |
| Formula |
C39H34O9 |
| InChI |
InChI=1S/C39H34O9/c1-42-30-16-15-26(17-31(30)47-23-25-13-9-6-10-14-25)38-35(27-18-33(43-2)39(45-4)34(19-27)44-3)37(41)36-29(40)20-28(21-32(36)48-38)46-22-24-11-7-5-8-12-24/h5-21,40H,22-23H2,1-4H3 |
| InChIKey |
VVWGJSMDCHTDRE-UHFFFAOYSA-N |
| SMILES |
C1(=C(OC=2C=C(OCC3=CC=CC=C3)C=C(C2C1=O)O)C=1C=C(OCC2=CC=CC=C2)C(OC)=CC1)C1=CC(OC)=C(C(=C1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874676 |
