| SpectraBase Compound ID | 8chJaKFnvwV |
|---|---|
| InChI | InChI=1S/C8H7Cl3/c1-5(9)6-2-3-7(10)8(11)4-6/h2-5H,1H3 |
| InChIKey | RFVRMZZXXWUCEA-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 | 4PcntL3OpYs |
|---|---|
| Name | Benzene, 1,2-dichloro-4-(1-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/c1-5(9)6-2-3-7(10)8(11)4-6/h2-5H,1H3 |
| InChIKey | RFVRMZZXXWUCEA-UHFFFAOYSA-N |
| SMILES | CC(Cl)C1=CC(Cl)=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924139 |