| SpectraBase Compound ID | AnFqTU47NQB |
|---|---|
| InChI | InChI=1S/C13H21NO4/c1-3-9-17-12(15)11-5-7-14(8-6-11)13(16)18-10-4-2/h4,11H,2-3,5-10H2,1H3 |
| InChIKey | YHHUOYGAXFTJSY-UHFFFAOYSA-N |
| Mol Weight | 255.31 g/mol |
| Molecular Formula | C13H21NO4 |
| Exact Mass | 255.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AJaHydSZBUh |
|---|---|
| Name | Isonipecotic acid, N-allyloxycarbonyl-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.147058156 u |
| Formula | C13H21NO4 |
| InChI | InChI=1S/C13H21NO4/c1-3-9-17-12(15)11-5-7-14(8-6-11)13(16)18-10-4-2/h4,11H,2-3,5-10H2,1H3 |
| InChIKey | YHHUOYGAXFTJSY-UHFFFAOYSA-N |
| Molecular Weight | 255.314 g/mol |
| SMILES | C=CCOC(N1CCC(C(OCCC)=O)CC1)=O |