| SpectraBase Spectrum ID |
FTjRgVaKTMO |
| Name |
3-Pyridinecarbonitrile, 1-(1,3-benzodioxol-5-ylmethyl)-1,2-dihydro-4,6-dimethyl-2-oxo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.100442316 u |
| Formula |
C16H14N2O3 |
| InChI |
InChI=1S/C16H14N2O3/c1-10-5-11(2)18(16(19)13(10)7-17)8-12-3-4-14-15(6-12)21-9-20-14/h3-6H,8-9H2,1-2H3 |
| InChIKey |
IWFPGNSMGCBEFH-UHFFFAOYSA-N |
| Molecular Weight |
282.299 g/mol |
| SMILES |
C(N1C(C)=CC(C)=C(C1=O)C#N)C1=CC2=C(C=C1)OCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939075 |
