| SpectraBase Compound ID | JSISVJ4LkCJ |
|---|---|
| InChI | InChI=1S/C9H9ClO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-6,11H,7H2/b9-6- |
| InChIKey | YQICOKCBYTXHGX-TWGQIWQCSA-N |
| Mol Weight | 168.62 g/mol |
| Molecular Formula | C9H9ClO |
| Exact Mass | 168.034193 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KSkJiDOulnM |
|---|---|
| Name | 2-Chloro-3-phenylprop-2-en-1-ol |
| 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/c10-9(7-11)6-8-4-2-1-3-5-8/h1-6,11H,7H2/b9-6- |
| InChIKey | YQICOKCBYTXHGX-TWGQIWQCSA-N |
| SMILES | C=1C=C(\C=C\(CO)Cl)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937554 |