| SpectraBase Compound ID | 5a2b3qqCoC1 |
|---|---|
| InChI | InChI=1S/C8H9BrO2/c1-5-3-6(11-2)4-7(10)8(5)9/h3-4,10H,1-2H3 |
| InChIKey | XPSZYQHWXXJDRE-UHFFFAOYSA-N |
| Mol Weight | 217.06 g/mol |
| Molecular Formula | C8H9BrO2 |
| Exact Mass | 215.978593 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8oe0YCEUlMd |
|---|---|
| Name | 2-Bromo-5-methoxy-m-cresol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.978592528 u |
| Formula | C8H9BrO2 |
| InChI | InChI=1S/C8H9BrO2/c1-5-3-6(11-2)4-7(10)8(5)9/h3-4,10H,1-2H3 |
| InChIKey | XPSZYQHWXXJDRE-UHFFFAOYSA-N |
| Molecular Weight | 217.062 g/mol |
| SMILES | OC1=C(C(=CC(=C1)OC)C)Br |
| Spectrum/Structure Validation Score (Raman) | 0.871569 |