| SpectraBase Spectrum ID |
LfLSimbJcib |
| Name |
4-Methoxy-alpha,3,5-trimethylphenethylamine, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
229.123341967 u |
| Formula |
C12H20ClNO |
| InChI |
InChI=1S/C12H19NO.ClH/c1-8-5-11(7-10(3)13)6-9(2)12(8)14-4;/h5-6,10H,7,13H2,1-4H3;1H |
| InChIKey |
KIZLMJCPUZAQPU-UHFFFAOYSA-N |
| Molecular Weight |
229.751 g/mol |
| SMILES |
Cl.NC(CC1=CC(=C(C(=C1)C)OC)C)C |
| Spectrum/Structure Validation Score (Raman) |
0.979854 |
