| SpectraBase Spectrum ID |
8P2SFNDGlQO |
| Name |
Isoquinoline, 2-acetyl-1-(3,4-dimethoxybenzoyl)-1,2,3,4-tetrahydro-6,7-dimethoxy- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.168187523 u |
| Formula |
C22H25NO6 |
| InChI |
InChI=1S/C22H25NO6/c1-13(24)23-9-8-14-10-19(28-4)20(29-5)12-16(14)21(23)22(25)15-6-7-17(26-2)18(11-15)27-3/h6-7,10-12,21H,8-9H2,1-5H3 |
| InChIKey |
PFHFUCHMQAZYIN-UHFFFAOYSA-N |
| Molecular Weight |
399.443 g/mol |
| SMILES |
C1(N(C(=O)C)CCC2=C1C=C(C(OC)=C2)OC)C(C=1C=C(OC)C(=CC1)OC)=O |
