| SpectraBase Spectrum ID |
LrbhTlop59x |
| Name |
1-Benzo[1,3]dioxol-5-yl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.147058156 u |
| Formula |
C19H21NO4 |
| InChI |
InChI=1S/C19H21NO4/c1-20-7-6-12-8-16(21-2)17(22-3)10-14(12)19(20)13-4-5-15-18(9-13)24-11-23-15/h4-5,8-10,19H,6-7,11H2,1-3H3 |
| InChIKey |
JFTOOEZYKZTOEX-UHFFFAOYSA-N |
| Molecular Weight |
327.380 g/mol |
| SMILES |
C1(=C(C=C2C(=C1)CCN(C2C1=CC=C2C(=C1)OCO2)C)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967187 |
![1-Benzo[1,3]dioxol-5-yl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline](/api/spectrum/LrbhTlop59x/structure.png?h=300&w=458 "1-Benzo[1,3]dioxol-5-yl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline")
