| SpectraBase Spectrum ID |
4h8Al74dS2u |
| Name |
p-di[.beta.,.beta.,.beta.-Trichloroethyl]benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
337.875716458 u |
| Formula |
C10H8Cl6 |
| InChI |
InChI=1S/C10H8Cl6/c11-9(12,13)5-7-1-2-8(4-3-7)6-10(14,15)16/h1-4H,5-6H2 |
| InChIKey |
NFFDGBHWSVXQLQ-UHFFFAOYSA-N |
| Molecular Weight |
340.892 g/mol |
| SMILES |
C1=C(C=CC(=C1)CC(Cl)(Cl)Cl)CC(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923611 |
![p-di[.beta.,.beta.,.beta.-Trichloroethyl]benzene](/api/spectrum/4h8Al74dS2u/structure.png?h=300&w=458 "p-di[.beta.,.beta.,.beta.-Trichloroethyl]benzene")
