![[3-Chloro-2-(chloromethyl)propyl]benzene](/api/spectrum/BVQxdgkfnXg/structure.png?h=300&w=458 "[3-Chloro-2-(chloromethyl)propyl]benzene")
| SpectraBase Compound ID | 5bGK1DvtaqP |
|---|---|
| InChI | InChI=1S/C10H12Cl2/c11-7-10(8-12)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2 |
| InChIKey | JYBPYVLTXKTXFW-UHFFFAOYSA-N |
| Mol Weight | 203.11 g/mol |
| Molecular Formula | C10H12Cl2 |
| Exact Mass | 202.031606 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BVQxdgkfnXg |
|---|---|
| Name | [3-Chloro-2-(chloromethyl)propyl]benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.031605786 u |
| Formula | C10H12Cl2 |
| InChI | InChI=1S/C10H12Cl2/c11-7-10(8-12)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2 |
| InChIKey | JYBPYVLTXKTXFW-UHFFFAOYSA-N |
| Molecular Weight | 203.112 g/mol |
| SMILES | C(C(CCl)CCl)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984799 |