| SpectraBase Spectrum ID |
FbwvIuIk0oo |
| Name |
5-(1-Ethyl-1,4-dihydropyridin-4-ylidene)-2,2-dimethyl-1,3-dioxan-4,6-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.100107963 u |
| Formula |
C13H15NO4 |
| InChI |
InChI=1S/C13H15NO4/c1-4-14-7-5-9(6-8-14)10-11(15)17-13(2,3)18-12(10)16/h5-8H,4H2,1-3H3 |
| InChIKey |
JBSHXOQKCDKISA-UHFFFAOYSA-N |
| Molecular Weight |
249.266 g/mol |
| SMILES |
CCN1C=CC(C=C1)=C1C(OC(OC1=O)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869028 |
