| SpectraBase Compound ID | JIWOjBC2wmz |
|---|---|
| InChI | InChI=1S/C9H8Cl2/c10-7-1-2-8-3-5-9(11)6-4-8/h1,3-7H,2H2/b7-1+ |
| InChIKey | BORZDVPEGMLNNW-LREOWRDNSA-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 | 7FeFLBvxTbZ |
|---|---|
| Name | 1-Chloro-4-(3-chloroallyl)benzene |
| 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/c10-7-1-2-8-3-5-9(11)6-4-8/h1,3-7H,2H2/b7-1+ |
| InChIKey | BORZDVPEGMLNNW-LREOWRDNSA-N |
| Molecular Weight | 187.069 g/mol |
| SMILES | C(\C=C\Cl)C1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868108 |