| SpectraBase Compound ID | 2QbSousNydK |
|---|---|
| InChI | InChI=1S/C9H8Cl2O/c10-5-1-2-7-6-8(11)3-4-9(7)12/h1,3-6,12H,2H2/b5-1+ |
| InChIKey | ZKDKNNICFUKMTI-ORCRQEGFSA-N |
| Mol Weight | 203.07 g/mol |
| Molecular Formula | C9H8Cl2O |
| Exact Mass | 201.99522 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ep65YIalf5D |
|---|---|
| Name | Phenol, 4-chloro-2-(3-chloro-2-propenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.995220277 u |
| Formula | C9H8Cl2O |
| InChI | InChI=1S/C9H8Cl2O/c10-5-1-2-7-6-8(11)3-4-9(7)12/h1,3-6,12H,2H2/b5-1+ |
| InChIKey | ZKDKNNICFUKMTI-ORCRQEGFSA-N |
| Molecular Weight | 203.068 g/mol |
| SMILES | Oc1c(cc(cc1)Cl)C\C=C\Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916374 |