| SpectraBase Compound ID | BuGA5HbdtvI |
|---|---|
| InChI | InChI=1S/C11H17NO3.ClH/c1-13-9-5-4-8(6-7-12)10(14-2)11(9)15-3;/h4-5H,6-7,12H2,1-3H3;1H |
| InChIKey | YIWSDEGXQDAAKU-UHFFFAOYSA-N |
| Mol Weight | 247.72 g/mol |
| Molecular Formula | C11H18ClNO3 |
| Exact Mass | 247.097521 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BfOhp2Wdbq1 |
|---|---|
| Name | 2,3,4-Trimethoxyphenethylamine, hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.097521141 u |
| Formula | C11H18ClNO3 |
| InChI | InChI=1S/C11H17NO3.ClH/c1-13-9-5-4-8(6-7-12)10(14-2)11(9)15-3;/h4-5H,6-7,12H2,1-3H3;1H |
| InChIKey | YIWSDEGXQDAAKU-UHFFFAOYSA-N |
| SMILES | Cl.NCCC1=CC=C(C(=C1OC)OC)OC |
| Spectrum/Structure Validation Score (Raman) | 0.954752 |