| SpectraBase Spectrum ID |
D8IQwbQu3pZ |
| Name |
3,4,5-Trimethoxybenzoic acid, 4-[(p-methoxy-alpha-methylphenethyl)methylamino]butyl ester, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
481.223115577 u |
| Formula |
C25H36ClNO6 |
| InChI |
InChI=1S/C25H35NO6.ClH/c1-18(15-19-9-11-21(28-3)12-10-19)26(2)13-7-8-14-32-25(27)20-16-22(29-4)24(31-6)23(17-20)30-5;/h9-12,16-18H,7-8,13-15H2,1-6H3;1H |
| InChIKey |
XTIFEXXRRHKDIV-UHFFFAOYSA-N |
| Molecular Weight |
482.017 g/mol |
| SMILES |
CN(CCCCOC(C=1C=C(C(=C(C1)OC)OC)OC)=O)C(CC=1C=CC(=CC1)OC)C.Cl |
| Spectrum/Structure Validation Score (Raman) |
0.924024 |
![3,4,5-Trimethoxybenzoic acid, 4-[(p-methoxy-alpha-methylphenethyl)methylamino]butyl ester, hydrochloride](/api/spectrum/D8IQwbQu3pZ/structure.png?h=300&w=458 "3,4,5-Trimethoxybenzoic acid, 4-[(p-methoxy-alpha-methylphenethyl)methylamino]butyl ester, hydrochloride")
