| SpectraBase Compound ID | 5Mu4q8WzRlm |
|---|---|
| InChI | InChI=1S/C8H7Cl3/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8H,5H2 |
| InChIKey | LJKHXYPCLZZREH-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 | AhYdiE4suKi |
|---|---|
| Name | Benzene, 1-chloro-4-(1,2-dichloroethyl)- |
| 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/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8H,5H2 |
| InChIKey | LJKHXYPCLZZREH-UHFFFAOYSA-N |
| SMILES | C(C(Cl)C1=CC=C(C=C1)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917421 |