| SpectraBase Spectrum ID |
3DAMaB2IgW |
| Name |
2-Acetyl-4,6-dichloro-indane-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
255.969399450 u |
| Formula |
C11H6Cl2O3 |
| InChI |
InChI=1S/C11H6Cl2O3/c1-4(14)8-10(15)6-2-5(12)3-7(13)9(6)11(8)16/h2-3,8H,1H3 |
| InChIKey |
ZLGPGFYKBHKRAE-UHFFFAOYSA-N |
| Molecular Weight |
257.072 g/mol |
| SMILES |
C1(C(C=2C(=CC(=CC2C1=O)Cl)Cl)=O)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934592 |
