| SpectraBase Compound ID | IzYXyPUvngR |
|---|---|
| InChI | InChI=1S/C8H9BrO/c9-5-7-3-1-2-4-8(7)6-10/h1-4,10H,5-6H2 |
| InChIKey | JDBQNNKIOFSPOA-UHFFFAOYSA-N |
| Mol Weight | 201.06 g/mol |
| Molecular Formula | C8H9BrO |
| Exact Mass | 199.983678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4ZpNJYRjdIN |
|---|---|
| Name | 2-(Bromomethyl)benzyl alcohol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.983677909 u |
| Formula | C8H9BrO |
| InChI | InChI=1S/C8H9BrO/c9-5-7-3-1-2-4-8(7)6-10/h1-4,10H,5-6H2 |
| InChIKey | JDBQNNKIOFSPOA-UHFFFAOYSA-N |
| Molecular Weight | 201.063 g/mol |
| SMILES | C1(=CC=CC=C1CO)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922825 |