| SpectraBase Compound ID | F87hF1XZEnC |
|---|---|
| InChI | InChI=1S/C9H11BrO/c1-7(6-11)8-4-2-3-5-9(8)10/h2-5,7,11H,6H2,1H3 |
| InChIKey | FNEYKDACFQTJTH-UHFFFAOYSA-N |
| Mol Weight | 215.09 g/mol |
| Molecular Formula | C9H11BrO |
| Exact Mass | 213.999328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4gnlLpHFE5g |
|---|---|
| Name | 2-(2-Bromo-phenyl)-propan-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.999327973 u |
| Formula | C9H11BrO |
| InChI | InChI=1S/C9H11BrO/c1-7(6-11)8-4-2-3-5-9(8)10/h2-5,7,11H,6H2,1H3 |
| InChIKey | FNEYKDACFQTJTH-UHFFFAOYSA-N |
| Molecular Weight | 215.090 g/mol |
| SMILES | C=1(C(Br)=CC=CC1)C(CO)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919472 |