| SpectraBase Compound ID | 1bRRAsc9mb6 |
|---|---|
| InChI | InChI=1S/C9H11BrO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6,11H,3,5,7H2 |
| InChIKey | VODAJGPTULSNSU-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 | 9MGpQdkVo6L |
|---|---|
| Name | 3-(2-Bromophenyl)-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/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6,11H,3,5,7H2 |
| InChIKey | VODAJGPTULSNSU-UHFFFAOYSA-N |
| Molecular Weight | 215.090 g/mol |
| SMILES | C1(Br)=CC=CC=C1CCCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.863121 |