| SpectraBase Spectrum ID |
Ldlty2aG6ox |
| Name |
1,2-bis(4-Chlorophenyl)-4-(2,4-dimethoxyphenyl)butane-1,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.073864520 u |
| Formula |
C24H20Cl2O4 |
| InChI |
InChI=1S/C24H20Cl2O4/c1-29-19-11-12-20(23(13-19)30-2)22(27)14-21(15-3-7-17(25)8-4-15)24(28)16-5-9-18(26)10-6-16/h3-13,21H,14H2,1-2H3 |
| InChIKey |
SMKOLPQQAVGMCA-UHFFFAOYSA-N |
| Molecular Weight |
443.326 g/mol |
| SMILES |
C=1(C(CC(C(C=2C=CC(=CC2)Cl)=O)C2=CC=C(C=C2)Cl)=O)C(=CC(=CC1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806892 |
