| SpectraBase Compound ID | BUyMb8nSTJL |
|---|---|
| InChI | InChI=1S/C9H9BrO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6,9,11H,1H2 |
| InChIKey | NAHZCZWMGHZWPD-UHFFFAOYSA-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 | 3hH6zZMvLvS |
|---|---|
| Name | 2-Bromo-1-phenyl-2-propen-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/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6,9,11H,1H2 |
| InChIKey | NAHZCZWMGHZWPD-UHFFFAOYSA-N |
| Molecular Weight | 213.074 g/mol |
| SMILES | C(C(C1=CC=CC=C1)O)(=C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928034 |