| SpectraBase Compound ID | A0Ely7BeyE9 |
|---|---|
| InChI | InChI=1S/C9H11BrO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7H2,1H3 |
| InChIKey | OXHPTABOQVHKLN-UHFFFAOYSA-N |
| Mol Weight | 215.09 g/mol |
| Molecular Formula | C9H11BrO |
| Exact Mass | 213.999328 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2MNsPml7Xs |
|---|---|
| Name | p-(2-Bromoethyl)anisole |
| 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/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7H2,1H3 |
| InChIKey | OXHPTABOQVHKLN-UHFFFAOYSA-N |
| Molecular Weight | 215.090 g/mol |
| SMILES | C=1C(=CC=C(C1)CCBr)OC |
| Spectrum/Structure Validation Score (Raman) | 0.982219 |