| SpectraBase Spectrum ID |
H5P3KRRPhAN |
| Name |
1,8-Dichloro-10-(3,4,5-trimethoxybenzylidene)-10H-anthracen-9-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.058214456 u |
| Formula |
C24H18Cl2O4 |
| InChI |
InChI=1S/C24H18Cl2O4/c1-28-19-11-13(12-20(29-2)24(19)30-3)10-16-14-6-4-8-17(25)21(14)23(27)22-15(16)7-5-9-18(22)26/h4-12H,1-3H3 |
| InChIKey |
WLBDKOHUQMTKLJ-UHFFFAOYSA-N |
| Molecular Weight |
441.310 g/mol |
| SMILES |
C1(C2=C(C(Cl)=CC=C2)C(C=2C1=CC=CC2Cl)=O)=CC=1C=C(OC)C(=C(C1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916086 |
