| SpectraBase Compound ID | HN6YrMvxpke |
|---|---|
| InChI | InChI=1S/C21H39NO4/c1-3-5-6-7-8-9-10-11-12-13-18-26-20(23)19-14-16-22(17-15-19)21(24)25-4-2/h19H,3-18H2,1-2H3 |
| InChIKey | WVTALFUEVISTPB-UHFFFAOYSA-N |
| Mol Weight | 369.5 g/mol |
| Molecular Formula | C21H39NO4 |
| Exact Mass | 369.287909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7PMAYL8ayp2 |
|---|---|
| Name | Isonipecotic acid, N-ethoxycarbonyl-, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 369.287908736 u |
| Formula | C21H39NO4 |
| InChI | InChI=1S/C21H39NO4/c1-3-5-6-7-8-9-10-11-12-13-18-26-20(23)19-14-16-22(17-15-19)21(24)25-4-2/h19H,3-18H2,1-2H3 |
| InChIKey | WVTALFUEVISTPB-UHFFFAOYSA-N |
| Molecular Weight | 369.546 g/mol |
| SMILES | CCCCCCCCCCCCOC(C1CCN(CC1)C(OCC)=O)=O |