| SpectraBase Spectrum ID |
BQqMyfi0psW |
| Name |
3,4-Dihydro-6,7-dimethoxy-3-methyl-1-isoquinolinyl p-methoxyphenyl ketone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.147058156 u |
| Formula |
C20H21NO4 |
| InChI |
InChI=1S/C20H21NO4/c1-12-9-14-10-17(24-3)18(25-4)11-16(14)19(21-12)20(22)13-5-7-15(23-2)8-6-13/h5-8,10-12H,9H2,1-4H3 |
| InChIKey |
CXMVWAYEFIRYPK-UHFFFAOYSA-N |
| Molecular Weight |
339.391 g/mol |
| SMILES |
C=12C=C(C(=CC1CC(N=C2C(C=1C=CC(=CC1)OC)=O)C)OC)OC |
| Spectrum/Structure Validation Score (Raman) |
0.931715 |
