| SpectraBase Spectrum ID |
1wh6eg2jYuh |
| Name |
(E/Z)-3-Methylimino-1-oxo-2-phenyl-1,2,3,5,6,7-hexahydropyrrolo[1,2-C]pyrimidine-4-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.116761086 u |
| Formula |
C15H14N4O |
| InChI |
InChI=1S/C15H14N4O/c1-17-14-12(10-16)13-8-5-9-18(13)15(20)19(14)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3/b17-14+ |
| InChIKey |
YXJOUFYNVURUCD-SAPNQHFASA-N |
| SMILES |
C1(N(\C(C(=C2CCCN12)C#N)=N/C)C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955496 |
![(E/Z)-3-Methylimino-1-oxo-2-phenyl-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine-4-carbonitrile](/api/spectrum/1wh6eg2jYuh/structure.png?h=300&w=458 "(E/Z)-3-Methylimino-1-oxo-2-phenyl-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine-4-carbonitrile")
