| SpectraBase Spectrum ID |
AbQDgkgu6Ay |
| Name |
1-Chloro-2-(dichloromethyl)-3-(trichloromethyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.844416329 u |
| Formula |
C8H4Cl6 |
| InChI |
InChI=1S/C8H4Cl6/c9-5-3-1-2-4(8(12,13)14)6(5)7(10)11/h1-3,7H |
| InChIKey |
YJAMLMAGCLNWKX-UHFFFAOYSA-N |
| Molecular Weight |
312.838 g/mol |
| SMILES |
C=1(C(C(Cl)(Cl)Cl)=CC=CC1Cl)C(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956416 |
