| SpectraBase Spectrum ID |
H6OsJ7izMXX |
| Name |
3-Azabicyclo[3.1.0]hexane-1,5-dicarbonitrile, 6-(2-chlorophenyl)-2,4-dioxo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
271.014854143 u |
| Formula |
C13H6ClN3O2 |
| InChI |
InChI=1S/C13H6ClN3O2/c14-8-4-2-1-3-7(8)9-12(5-15)10(18)17-11(19)13(9,12)6-16/h1-4,9H,(H,17,18,19) |
| InChIKey |
DRMRIWSSOXILTJ-UHFFFAOYSA-N |
| SMILES |
C12(C(C(=O)NC2=O)(C#N)C1C=1C(Cl)=CC=CC1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903819 |
![3-Azabicyclo[3.1.0]hexane-1,5-dicarbonitrile, 6-(2-chlorophenyl)-2,4-dioxo-](/api/spectrum/H6OsJ7izMXX/structure.png?h=300&w=458 "3-Azabicyclo[3.1.0]hexane-1,5-dicarbonitrile, 6-(2-chlorophenyl)-2,4-dioxo-")
