| SpectraBase Spectrum ID |
3o55oKDJvKn |
| Name |
6-Methyl-2,4-dioxo-6-phenyl-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.069476540 u |
| Formula |
C14H9N3O2 |
| InChI |
InChI=1S/C14H9N3O2/c1-12(9-5-3-2-4-6-9)13(7-15)10(18)17-11(19)14(12,13)8-16/h2-6H,1H3,(H,17,18,19) |
| InChIKey |
CJQAYKWHDHDYHJ-UHFFFAOYSA-N |
| Molecular Weight |
251.245 g/mol |
| SMILES |
CC1(C=2C=CC=CC2)C2(C(NC(C12C#N)=O)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919545 |
![6-Methyl-2,4-dioxo-6-phenyl-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile](/api/spectrum/3o55oKDJvKn/structure.png?h=300&w=458 "6-Methyl-2,4-dioxo-6-phenyl-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile")
