| SpectraBase Compound ID | GyyLEyeldWt |
|---|---|
| InChI | InChI=1S/C8H7Cl3/c9-4-3-6-5-7(10)1-2-8(6)11/h1-2,5H,3-4H2 |
| InChIKey | ZCLRNCLVHYHSFK-UHFFFAOYSA-N |
| Mol Weight | 209.5 g/mol |
| Molecular Formula | C8H7Cl3 |
| Exact Mass | 207.961333 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GE5AURuwqVI |
|---|---|
| Name | Benzene, 1,4-dichloro-2-(2-chloroethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.961333325 u |
| Formula | C8H7Cl3 |
| InChI | InChI=1S/C8H7Cl3/c9-4-3-6-5-7(10)1-2-8(6)11/h1-2,5H,3-4H2 |
| InChIKey | ZCLRNCLVHYHSFK-UHFFFAOYSA-N |
| SMILES | C(CC1=C(Cl)C=CC(=C1)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933925 |