| SpectraBase Compound ID | 2zP1Za9Sp1z |
|---|---|
| InChI | InChI=1S/C21H39NO4/c1-3-5-7-8-9-10-11-12-18-25-20(23)19-13-15-22(16-14-19)21(24)26-17-6-4-2/h19H,3-18H2,1-2H3 |
| InChIKey | NBAFJKRIULCWJS-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 | 8XpQ2cy6LlV |
|---|---|
| Name | Isonipecotic acid, N-butoxycarbonyl-, decyl 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/c1-3-5-7-8-9-10-11-12-18-25-20(23)19-13-15-22(16-14-19)21(24)26-17-6-4-2/h19H,3-18H2,1-2H3 |
| InChIKey | NBAFJKRIULCWJS-UHFFFAOYSA-N |
| Molecular Weight | 369.546 g/mol |
| SMILES | C1N(CCC(C1)C(OCCCCCCCCCC)=O)C(=O)OCCCC |