| SpectraBase Spectrum ID |
7fXdFnr7Kag |
| Name |
2-Chloranyl-4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-ethoxy-phenol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
391.155036017 u |
| Formula |
C21H26ClNO4 |
| InChI |
InChI=1S/C21H26ClNO4/c1-4-25-17-10-13-7-8-23-20(15(13)12-18(17)26-5-2)14-9-16(22)21(24)19(11-14)27-6-3/h9-12,20,23-24H,4-8H2,1-3H3 |
| InChIKey |
IFUQBAKVTWMUSZ-UHFFFAOYSA-N |
| Molecular Weight |
391.895 g/mol |
| SMILES |
C1=2C(C3=CC(Cl)=C(C(=C3)OCC)O)NCCC1=CC(OCC)=C(C2)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951716 |
