| SpectraBase Spectrum ID |
KnVbtG4wqTQ |
| Name |
1-(1-Acetyl-2-oxo-propyl)-4,6-dimethyl-2-oxo-1,2-dihydro-pyridine-3-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.100442316 u |
| Formula |
C13H14N2O3 |
| InChI |
InChI=1S/C13H14N2O3/c1-7-5-8(2)15(13(18)11(7)6-14)12(9(3)16)10(4)17/h5,12H,1-4H3 |
| InChIKey |
VBGLERFQDSXUTO-UHFFFAOYSA-N |
| Molecular Weight |
246.266 g/mol |
| SMILES |
C1(N(C(=CC(=C1C#N)C)C)C(C(=O)C)C(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985038 |
