| SpectraBase Compound ID | 7hjoPT8h79H |
|---|---|
| InChI | InChI=1S/C9H9BrO/c10-9(6-7-11)8-4-2-1-3-5-8/h1-6,11H,7H2/b9-6+ |
| InChIKey | WEXVGSBBXZZOAJ-RMKNXTFCSA-N |
| Mol Weight | 213.07 g/mol |
| Molecular Formula | C9H9BrO |
| Exact Mass | 211.983678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K4FQHN5IKA1 |
|---|---|
| Name | (E)-3-Bromo-3-fenilprop-2-en-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.983677909 u |
| Formula | C9H9BrO |
| InChI | InChI=1S/C9H9BrO/c10-9(6-7-11)8-4-2-1-3-5-8/h1-6,11H,7H2/b9-6+ |
| InChIKey | WEXVGSBBXZZOAJ-RMKNXTFCSA-N |
| Molecular Weight | 213.074 g/mol |
| SMILES | C=1C(=CC=CC1)\C(=C/CO)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.857331 |