| SpectraBase Compound ID | 9oUTTOohBnn |
|---|---|
| InChI | InChI=1S/C9H9ClO/c10-7-3-5-8-4-1-2-6-9(8)11/h1-4,6-7,11H,5H2/b7-3+ |
| InChIKey | OHABNEWOPPLQFH-XVNBXDOJSA-N |
| Mol Weight | 168.62 g/mol |
| Molecular Formula | C9H9ClO |
| Exact Mass | 168.034193 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1OdvBHcj3A |
|---|---|
| Name | Phenol, 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 | 168.034192609 u |
| Formula | C9H9ClO |
| InChI | InChI=1S/C9H9ClO/c10-7-3-5-8-4-1-2-6-9(8)11/h1-4,6-7,11H,5H2/b7-3+ |
| InChIKey | OHABNEWOPPLQFH-XVNBXDOJSA-N |
| SMILES | C(\C=C\Cl)C1=C(O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926153 |