| SpectraBase Compound ID | cek0bBupbw |
|---|---|
| InChI | InChI=1S/C9H8Cl2/c1-7(6-10)8-4-2-3-5-9(8)11/h2-6H,1H3/b7-6+ |
| InChIKey | HXGMIQKKXNWCSZ-VOTSOKGWSA-N |
| Mol Weight | 187.07 g/mol |
| Molecular Formula | C9H8Cl2 |
| Exact Mass | 186.000306 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9UPsltmPoac |
|---|---|
| Name | Benzene, 1-chloro-2-(2-chloro-1-methylethenyl)-, (E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.000305658 u |
| Formula | C9H8Cl2 |
| InChI | InChI=1S/C9H8Cl2/c1-7(6-10)8-4-2-3-5-9(8)11/h2-6H,1H3/b7-6+ |
| InChIKey | HXGMIQKKXNWCSZ-VOTSOKGWSA-N |
| Molecular Weight | 187.069 g/mol |
| SMILES | C=1(\C(=C\Cl)C)C(Cl)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91813 |