| SpectraBase Spectrum ID |
cYypYDmKhE |
| Name |
Isonipecotic acid, N-allyloxycarbonyl-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
241.131408092 u |
| Formula |
C12H19NO4 |
| InChI |
InChI=1S/C12H19NO4/c1-3-9-17-12(15)13-7-5-10(6-8-13)11(14)16-4-2/h3,10H,1,4-9H2,2H3 |
| InChIKey |
JPPZYAYFZVNKRX-UHFFFAOYSA-N |
| Molecular Weight |
241.287 g/mol |
| SMILES |
C1N(CCC(C1)C(OCC)=O)C(OCC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938591 |
