| SpectraBase Spectrum ID |
2k5urfAweI5 |
| Name |
Diethyl 1-acetyl-1,2,3,6-tetrahydropyridine-2,2-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
269.126322711 u |
| Formula |
C13H19NO5 |
| InChI |
InChI=1S/C13H19NO5/c1-4-18-11(16)13(12(17)19-5-2)8-6-7-9-14(13)10(3)15/h6-7H,4-5,8-9H2,1-3H3 |
| InChIKey |
VYVQGCPYBQOLOS-UHFFFAOYSA-N |
| Molecular Weight |
269.297 g/mol |
| SMILES |
C1(CC=CCN1C(C)=O)(C(=O)OCC)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899196 |
