| SpectraBase Spectrum ID |
1EKHSF9auG7 |
| Name |
4-(6,7-Diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-2-ethoxy-phenol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.194008349 u |
| Formula |
C21H27NO4 |
| InChI |
InChI=1S/C21H27NO4/c1-4-24-18-12-15(7-8-17(18)23)21-16-13-20(26-6-3)19(25-5-2)11-14(16)9-10-22-21/h7-8,11-13,21-23H,4-6,9-10H2,1-3H3 |
| InChIKey |
BOYDCQRQYBZISA-UHFFFAOYSA-N |
| Molecular Weight |
357.450 g/mol |
| SMILES |
C=12C(C3=CC(OCC)=C(C=C3)O)NCCC1C=C(OCC)C(=C2)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928979 |
