| SpectraBase Spectrum ID |
71HR6oqS4Q5 |
| Name |
6-Amino-2-methoxy-4-(3-pyridinyl)-3,4-dihydropyridine-3,5-dicarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
253.096359993 u |
| Formula |
C13H11N5O |
| InChI |
InChI=1S/C13H11N5O/c1-19-13-10(6-15)11(8-3-2-4-17-7-8)9(5-14)12(16)18-13/h2-4,7,10-11H,16H2,1H3 |
| InChIKey |
VDUSPTGZZOJPLO-UHFFFAOYSA-N |
| Molecular Weight |
253.265 g/mol |
| SMILES |
C1(=C(N=C(C(C1C=1C=NC=CC1)C#N)OC)N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925013 |
