| SpectraBase Spectrum ID |
4Nb1QS25sXz |
| Name |
3(2H)-Isoquinolinone, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-nitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.127050985 u |
| Formula |
C20H20N2O7 |
| InChI |
InChI=1S/C20H20N2O7/c1-26-15-6-5-11(8-16(15)27-2)7-14-12-9-17(28-3)18(29-4)10-13(12)19(22(24)25)20(23)21-14/h5-6,8-10,19H,7H2,1-4H3 |
| InChIKey |
ZPESOXQUJXAPND-UHFFFAOYSA-N |
| Molecular Weight |
400.387 g/mol |
| SMILES |
C1(C(N=C(C2=C1C=C(C(OC)=C2)OC)CC=1C=C(OC)C(=CC1)OC)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967625 |
![3(2H)-Isoquinolinone, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-nitro-](/api/spectrum/4Nb1QS25sXz/structure.png?h=300&w=458 "3(2H)-Isoquinolinone, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-nitro-")
