| SpectraBase Compound ID | HqkkzB3NS2b |
|---|---|
| InChI | InChI=1S/C8H9BrO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2 |
| InChIKey | PTTFLKHCSZSFOL-UHFFFAOYSA-N |
| Mol Weight | 201.06 g/mol |
| Molecular Formula | C8H9BrO |
| Exact Mass | 199.983678 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1udVRPjnFR2 |
|---|---|
| Name | 3-Bromophenethyl 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/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2 |
| InChIKey | PTTFLKHCSZSFOL-UHFFFAOYSA-N |
| Molecular Weight | 201.063 g/mol |
| SMILES | C1(Br)=CC(CCO)=CC=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.981331 |