| SpectraBase Spectrum ID |
LJjGAWt8V3I |
| Name |
3-(4-Benzyloxyphenyl)-2-(4-methoxyphenyl)-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 |
486.183109313 u |
| Formula |
C33H26O4 |
| InChI |
InChI=1S/C33H26O4/c1-35-25-15-11-23(12-16-25)28-19-30-32(37-31-10-6-5-9-27(31)33(30)34)20-29(28)24-13-17-26(18-14-24)36-21-22-7-3-2-4-8-22/h2-19,29H,20-21H2,1H3 |
| InChIKey |
MANCTSQYSUGDNX-UHFFFAOYSA-N |
| Molecular Weight |
486.567 g/mol |
| SMILES |
C12=C(OC3=C(C2=O)C=CC=C3)CC(C(=C1)C1=CC=C(C=C1)OC)C=1C=CC(OCC=2C=CC=CC2)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822751 |
