| SpectraBase Spectrum ID |
GAJJr6BCAAQ |
| Name |
1,2,3,4-Tetrahydro-2-(2-hydroxy-3-phenoxypropyl)-6,7-dimethoxyisoquinoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.178358285 u |
| Formula |
C20H25NO4 |
| InChI |
InChI=1S/C20H25NO4/c1-23-19-10-15-8-9-21(12-16(15)11-20(19)24-2)13-17(22)14-25-18-6-4-3-5-7-18/h3-7,10-11,17,22H,8-9,12-14H2,1-2H3 |
| InChIKey |
KUYHKHWEQQKGIQ-UHFFFAOYSA-N |
| Molecular Weight |
343.423 g/mol |
| SMILES |
C1=CC=C(C=C1)OCC(CN1CC2=CC(OC)=C(C=C2CC1)OC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937602 |
