| SpectraBase Spectrum ID |
LksU5M3ZXzR |
| Name |
3,4-Dimethoxyphenyl 6-methyl-5,6,7,8-tetrahydro-1,3-dioxolo[4,5-G]-isoquinolin-5-yl ketone, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
391.118650507 u |
| Formula |
C20H22ClNO5 |
| InChI |
InChI=1S/C20H21NO5.ClH/c1-21-7-6-12-8-17-18(26-11-25-17)10-14(12)19(21)20(22)13-4-5-15(23-2)16(9-13)24-3;/h4-5,8-10,19H,6-7,11H2,1-3H3;1H |
| InChIKey |
LHJDFDHIGLMDMK-UHFFFAOYSA-N |
| Molecular Weight |
391.851 g/mol |
| SMILES |
Cl.C=12C=C3OCOC3=CC1CCN(C2C(C=1C=C(C(=CC1)OC)OC)=O)C |
| Spectrum/Structure Validation Score (Raman) |
0.958434 |
![3,4-Dimethoxyphenyl 6-methyl-5,6,7,8-tetrahydro-1,3-dioxolo[4,5-G]-isoquinolin-5-yl ketone, hydrochloride](/api/spectrum/LksU5M3ZXzR/structure.png?h=300&w=458 "3,4-Dimethoxyphenyl 6-methyl-5,6,7,8-tetrahydro-1,3-dioxolo[4,5-G]-isoquinolin-5-yl ketone, hydrochloride")
