| SpectraBase Spectrum ID |
LgxPl08Ldzr |
| Name |
10-(3-Benzyloxybenzyl)-4,5-dichloro-10H-anthracen-9-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.084035282 u |
| Formula |
C28H20Cl2O2 |
| InChI |
InChI=1S/C28H20Cl2O2/c29-24-13-5-11-21-26(24)23(27-22(28(21)31)12-6-14-25(27)30)16-19-9-4-10-20(15-19)32-17-18-7-2-1-3-8-18/h1-15,23H,16-17H2 |
| InChIKey |
RBYTVZAOGLVXKU-UHFFFAOYSA-N |
| Molecular Weight |
459.372 g/mol |
| SMILES |
C1(C2=C(C(Cl)=CC=C2)C(C=2C1=CC=CC2Cl)CC=1C=C(OCC=2C=CC=CC2)C=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865374 |
