| SpectraBase Compound ID | 8F5tX3E5AlR |
|---|---|
| InChI | InChI=1S/C9H13NO2/c1-12-9-3-2-7(4-5-10)6-8(9)11/h2-3,6,11H,4-5,10H2,1H3 |
| InChIKey | WJXQFVMTIGJBFX-UHFFFAOYSA-N |
| Mol Weight | 167.21 g/mol |
| Molecular Formula | C9H13NO2 |
| Exact Mass | 167.094629 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1J8RWImpS8W |
|---|---|
| Name | 3-Hydroxy-4-methoxyphenethylamine HCl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.094628661 u |
| Formula | C9H13NO2 |
| InChI | InChI=1S/C9H13NO2/c1-12-9-3-2-7(4-5-10)6-8(9)11/h2-3,6,11H,4-5,10H2,1H3 |
| InChIKey | WJXQFVMTIGJBFX-UHFFFAOYSA-N |
| SMILES | OC=1C=C(CCN)C=CC1OC |
| Spectrum/Structure Validation Score (Raman) | 0.983645 |