| SpectraBase Spectrum ID |
6qeQxwdTvNc |
| Name |
Isoindoline, 6,7-dimethoxy-3-[2-(2-dimethylaminoethyl)-4,5-methylenedioxybenzylidene]-1-oxo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.168521876 u |
| Formula |
C22H24N2O5 |
| InChI |
InChI=1S/C22H24N2O5/c1-24(2)8-7-13-10-18-19(29-12-28-18)11-14(13)9-16-15-5-6-17(26-3)21(27-4)20(15)22(25)23-16/h5-6,9-11H,7-8,12H2,1-4H3,(H,23,25)/b16-9+ |
| InChIKey |
ZMAHFZSTFDAVRW-CXUHLZMHSA-N |
| Molecular Weight |
396.443 g/mol |
| SMILES |
C1=C(OC)C(=C2C(=C1)\C(NC2=O)=C/C=1C=C2C(OCO2)=CC1CCN(C)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838596 |
![Isoindoline, 6,7-dimethoxy-3-[2-(2-dimethylaminoethyl)-4,5-methylenedioxybenzylidene]-1-oxo-](/api/spectrum/6qeQxwdTvNc/structure.png?h=300&w=458 "Isoindoline, 6,7-dimethoxy-3-[2-(2-dimethylaminoethyl)-4,5-methylenedioxybenzylidene]-1-oxo-")
