| SpectraBase Spectrum ID |
8tLWFBgF3b3 |
| Name |
6,7-Dimethoxy-2-methyl-1-veratryl-3(2H)-isoquinolone, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.134300572 u |
| Formula |
C21H24ClNO5 |
| InChI |
InChI=1S/C21H23NO5.ClH/c1-22-16(8-13-6-7-17(24-2)18(9-13)25-3)15-12-20(27-5)19(26-4)10-14(15)11-21(22)23;/h6-7,9-12H,8H2,1-5H3;1H |
| InChIKey |
SURRETGRDSOPKP-UHFFFAOYSA-N |
| Molecular Weight |
405.878 g/mol |
| SMILES |
Cl.C1=C(C(=CC=2C1=CC(=O)N(C2CC=1C=C(C(=CC1)OC)OC)C)OC)OC |
| Spectrum/Structure Validation Score (Raman) |
0.878908 |
