| SpectraBase Compound ID | D9witeoVgRz |
|---|---|
| InChI | InChI=1S/C8H8Cl2/c1-8(9,10)7-5-3-2-4-6-7/h2-6H,1H3 |
| InChIKey | YCWQUKYGSPNNCZ-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 | AeVUds54kRh |
|---|---|
| Name | Benzene, (1,1-dichloroethyl)- |
| 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/c1-8(9,10)7-5-3-2-4-6-7/h2-6H,1H3 |
| InChIKey | YCWQUKYGSPNNCZ-UHFFFAOYSA-N |
| Molecular Weight | 175.058 g/mol |
| SMILES | C1=C(C=CC=C1)C(C)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957417 |