SpectraBase Spectrum ID |
AIqKN37mJcT |
Name |
[1,3,3,3-Tetrachloro-2-(chloromethyl)propyl]-benzene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
303.914688790 u |
Formula |
C10H9Cl5 |
InChI |
InChI=1S/C10H9Cl5/c11-6-8(10(13,14)15)9(12)7-4-2-1-3-5-7/h1-5,8-9H,6H2 |
InChIKey |
ILZSVVIUDAFOQP-UHFFFAOYSA-N |
Molecular Weight |
306.447 g/mol |
SMILES |
C=1(C=CC=CC1)C(C(C(Cl)(Cl)Cl)CCl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92913 |