| SpectraBase Spectrum ID |
Gdqkd6pyNn4 |
| Name |
1-(2-Chloro-5-hydroxy-4-methoxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.108085824 u |
| Formula |
C18H20ClNO4 |
| InChI |
InChI=1S/C18H20ClNO4/c1-23-17-7-10-3-4-20-14(12(10)8-16(17)22)5-11-6-15(21)18(24-2)9-13(11)19/h6-9,14,20-22H,3-5H2,1-2H3 |
| InChIKey |
UJHBJOSDOCSFLI-UHFFFAOYSA-N |
| Molecular Weight |
349.814 g/mol |
| SMILES |
C1(=CC2=C(C=C1O)C(NCC2)CC1=CC(=C(C=C1Cl)OC)O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888747 |
