| SpectraBase Compound ID | 8pjavMqBWhg |
|---|---|
| InChI | InChI=1S/C14H23NO4/c1-4-9-18-14(17)15-7-5-12(6-8-15)13(16)19-10-11(2)3/h4,11-12H,1,5-10H2,2-3H3 |
| InChIKey | IXSACJHXSNGPSB-UHFFFAOYSA-N |
| Mol Weight | 269.34 g/mol |
| Molecular Formula | C14H23NO4 |
| Exact Mass | 269.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3TKKcWsggbJ |
|---|---|
| Name | Isonipecotic acid, N-allyloxycarbonyl-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.162708221 u |
| Formula | C14H23NO4 |
| InChI | InChI=1S/C14H23NO4/c1-4-9-18-14(17)15-7-5-12(6-8-15)13(16)19-10-11(2)3/h4,11-12H,1,5-10H2,2-3H3 |
| InChIKey | IXSACJHXSNGPSB-UHFFFAOYSA-N |
| Molecular Weight | 269.341 g/mol |
| SMILES | C=CCOC(N1CCC(C(OCC(C)C)=O)CC1)=O |