| SpectraBase Compound ID | 8VfSyFEQ4et |
|---|---|
| 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 |
| Mol Weight | 241.29 g/mol |
| Molecular Formula | C12H19NO4 |
| Exact Mass | 241.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6YbaIb1BfMe |
|---|---|
| Name | Isonipecotic acid, N-allyloxycarbonyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| 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 |