| SpectraBase Spectrum ID |
IfigKKdF453 |
| Name |
3-(2H-1,3-Benzodioxol-5-ylmethylidene)-5,6-dimethoxy-1H-indol-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.095022582 u |
| Formula |
C18H15NO5 |
| InChI |
InChI=1S/C18H15NO5/c1-21-15-7-11-12(18(20)19-13(11)8-16(15)22-2)5-10-3-4-14-17(6-10)24-9-23-14/h3-8H,9H2,1-2H3,(H,19,20)/b12-5- |
| InChIKey |
BGHVVKAHCBHMAX-XGICHPGQSA-N |
| Molecular Weight |
325.320 g/mol |
| SMILES |
C1(=C(C=C2C(=C1)\C(C(N2)=O)=C\C1=CC2=C(C=C1)OCO2)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956018 |
