| SpectraBase Compound ID | Fe7qKMJIGkL |
|---|---|
| InChI | InChI=1S/C15H25NO4/c1-3-5-6-12-19-14(17)13-7-9-16(10-8-13)15(18)20-11-4-2/h4,13H,2-3,5-12H2,1H3 |
| InChIKey | ACKMQDJLOCSEGK-UHFFFAOYSA-N |
| Mol Weight | 283.37 g/mol |
| Molecular Formula | C15H25NO4 |
| Exact Mass | 283.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IHI7FKXzdT9 |
|---|---|
| Name | Isonipecotic acid, N-allyloxycarbonyl-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.178358285 u |
| Formula | C15H25NO4 |
| InChI | InChI=1S/C15H25NO4/c1-3-5-6-12-19-14(17)13-7-9-16(10-8-13)15(18)20-11-4-2/h4,13H,2-3,5-12H2,1H3 |
| InChIKey | ACKMQDJLOCSEGK-UHFFFAOYSA-N |
| SMILES | C1N(CCC(C1)C(OCCCCC)=O)C(OCC=C)=O |