| SpectraBase Spectrum ID |
3gQgHqr78LP |
| Name |
3-(1,3-Dioxoisoindol-2-yl)-8-oxa-3-azatricyclo[7.4.0.0{2,6}]trideca-1(9),10,12-triene-4-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.111341352 u |
| Formula |
C20H15N3O3 |
| InChI |
InChI=1S/C20H15N3O3/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/h1-8,12-13,18H,9,11H2 |
| InChIKey |
JISVGAIWNIBUHL-UHFFFAOYSA-N |
| Molecular Weight |
345.358 g/mol |
| SMILES |
C1(N(C2C3=CC=CC=C3OCC2C1)N1C(C2=CC=CC=C2C1=O)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892773 |
![3-(1,3-Dioxoisoindol-2-yl)-8-oxa-3-azatricyclo[7.4.0.0{2,6}]trideca-1(9),10,12-triene-4-carbonitrile](/api/spectrum/3gQgHqr78LP/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),10,12-triene-4-carbonitrile")
