| SpectraBase Spectrum ID |
LapATE6Aedi |
| Name |
4-(6,7-Diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-2,6-dimethoxy-phenol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
373.188922968 u |
| Formula |
C21H27NO5 |
| InChI |
InChI=1S/C21H27NO5/c1-5-26-16-9-13-7-8-22-20(15(13)12-17(16)27-6-2)14-10-18(24-3)21(23)19(11-14)25-4/h9-12,20,22-23H,5-8H2,1-4H3 |
| InChIKey |
LNZOVBHULKPQJP-UHFFFAOYSA-N |
| Molecular Weight |
373.449 g/mol |
| SMILES |
C1=2C(C3=CC(OC)=C(C(=C3)OC)O)NCCC1=CC(OCC)=C(C2)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955157 |
