| SpectraBase Spectrum ID |
JYJqHe2jfXu |
| Name |
3-(1,3-Dioxoisoindol-2-yl)-8-oxa-3-azatricyclo[7.4.0.0{2,6}]trideca-1(9),5,10,12-tetraene-4-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.095691288 u |
| Formula |
C20H13N3O3 |
| InChI |
InChI=1S/C20H13N3O3/c21-10-13-9-12-11-26-17-8-4-3-7-16(17)18(12)22(13)23-19(24)14-5-1-2-6-15(14)20(23)25/h1-9,13,18H,11H2 |
| InChIKey |
FKOWMOLBEHEPNE-UHFFFAOYSA-N |
| Molecular Weight |
343.342 g/mol |
| SMILES |
C1(N(C2C3=CC=CC=C3OCC2=C1)N1C(C2=CC=CC=C2C1=O)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927537 |
![3-(1,3-Dioxoisoindol-2-yl)-8-oxa-3-azatricyclo[7.4.0.0{2,6}]trideca-1(9),5,10,12-tetraene-4-carbonitrile](/api/spectrum/JYJqHe2jfXu/structure.png?h=300&w=458 "3-(1,3-Dioxoisoindol-2-yl)-8-oxa-3-azatricyclo[7.4.0.0{2,6}]trideca-1(9),5,10,12-tetraene-4-carbonitrile")
