| SpectraBase Spectrum ID |
EU3U9VXAtUA |
| Name |
2-Chloranyl-4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.128821269 u |
| Formula |
C19H22ClNO3 |
| InChI |
InChI=1S/C19H22ClNO3/c1-3-23-17-10-12-7-8-21-19(14(12)11-18(17)24-4-2)13-5-6-16(22)15(20)9-13/h5-6,9-11,19,21-22H,3-4,7-8H2,1-2H3 |
| InChIKey |
KUYQOVPHRFCDKM-UHFFFAOYSA-N |
| Molecular Weight |
347.842 g/mol |
| SMILES |
C=12C(C3=CC(Cl)=C(C=C3)O)NCCC1C=C(OCC)C(=C2)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950565 |
