| SpectraBase Spectrum ID |
D8sxe3GigpO |
| Name |
2-[2,5-bis(Oxidanylidene)-3,3A,6,6A-tetrahydro-1H-imidazo[4,5-D]imidazol-4-yl]-N-(cyclopentylideneamino)ethanamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.128388396 u |
| Formula |
C11H16N6O3 |
| InChI |
InChI=1S/C11H16N6O3/c18-7(16-15-6-3-1-2-4-6)5-17-9-8(13-11(17)20)12-10(19)14-9/h8-9H,1-5H2,(H,13,20)(H,16,18)(H2,12,14,19) |
| InChIKey |
SXMJFSDBPHOMPK-UHFFFAOYSA-N |
| SMILES |
C1CC(=NNC(CN2C(NC3C2NC(=O)N3)=O)=O)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841747 |
![2-[2,5-bis(oxidanylidene)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-N-(cyclopentylideneamino)ethanamide](/api/spectrum/D8sxe3GigpO/structure.png?h=300&w=458 "2-[2,5-bis(oxidanylidene)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-N-(cyclopentylideneamino)ethanamide")
