| SpectraBase Spectrum ID |
IPk71bD7kGr |
| Name |
3,4,5-Trimethoxybenzoic acid, 3-(ethylphenethylamino)propyl ester, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
437.196900829 u |
| Formula |
C23H32ClNO5 |
| InChI |
InChI=1S/C23H31NO5.ClH/c1-5-24(14-12-18-10-7-6-8-11-18)13-9-15-29-23(25)19-16-20(26-2)22(28-4)21(17-19)27-3;/h6-8,10-11,16-17H,5,9,12-15H2,1-4H3;1H |
| InChIKey |
QHURAHHVYDVQES-UHFFFAOYSA-N |
| Molecular Weight |
437.964 g/mol |
| SMILES |
Cl.C1=C(CCN(CC)CCCOC(=O)C=2C=C(C(=C(C2)OC)OC)OC)C=CC=C1 |
| Spectrum/Structure Validation Score (Raman) |
0.880433 |
