| SpectraBase Compound ID | B2F7uk3cvAC |
|---|---|
| InChI | InChI=1S/C8H8Cl2/c1-2-6-3-4-7(9)8(10)5-6/h3-5H,2H2,1H3 |
| InChIKey | LAGWZWJDSQHXQZ-UHFFFAOYSA-N |
| Mol Weight | 175.06 g/mol |
| Molecular Formula | C8H8Cl2 |
| Exact Mass | 174.000306 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CbTFGAEwX9E |
|---|---|
| Name | Benzene, 1,2-dichloro-4-ethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.000305658 u |
| Formula | C8H8Cl2 |
| InChI | InChI=1S/C8H8Cl2/c1-2-6-3-4-7(9)8(10)5-6/h3-5H,2H2,1H3 |
| InChIKey | LAGWZWJDSQHXQZ-UHFFFAOYSA-N |
| Molecular Weight | 175.058 g/mol |
| SMILES | C1=C(C=C(C(=C1)Cl)Cl)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.860935 |