| SpectraBase Spectrum ID |
JqlmMiDnXKq |
| Name |
2-(3,4-Dimethoxyphenyl)-3-phenyl-3,4-dihydro-9H-xanthen-9-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.151809184 u |
| Formula |
C27H22O4 |
| InChI |
InChI=1S/C27H22O4/c1-29-24-13-12-18(14-26(24)30-2)20-15-22-25(16-21(20)17-8-4-3-5-9-17)31-23-11-7-6-10-19(23)27(22)28/h3-15,21H,16H2,1-2H3 |
| InChIKey |
JYXXREFDGZYGBY-UHFFFAOYSA-N |
| Molecular Weight |
410.469 g/mol |
| SMILES |
C12=C(OC3=C(C2=O)C=CC=C3)CC(C(=C1)C=1C=C(OC)C(=CC1)OC)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90459 |
