| SpectraBase Compound ID | 2807Y73rTEs |
|---|---|
| InChI | InChI=1S/C23H43NO4/c1-3-5-7-8-9-10-11-12-13-14-20-27-22(25)21-15-17-24(18-16-21)23(26)28-19-6-4-2/h21H,3-20H2,1-2H3 |
| InChIKey | VOMRZQJJFAQBQW-UHFFFAOYSA-N |
| Mol Weight | 397.6 g/mol |
| Molecular Formula | C23H43NO4 |
| Exact Mass | 397.319209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KEd8xeVlhY5 |
|---|---|
| Name | Isonipecotic acid, N-butoxycarbonyl-, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 397.319208865 u |
| Formula | C23H43NO4 |
| InChI | InChI=1S/C23H43NO4/c1-3-5-7-8-9-10-11-12-13-14-20-27-22(25)21-15-17-24(18-16-21)23(26)28-19-6-4-2/h21H,3-20H2,1-2H3 |
| InChIKey | VOMRZQJJFAQBQW-UHFFFAOYSA-N |
| Molecular Weight | 397.600 g/mol |
| SMILES | C1N(CCC(C1)C(OCCCCCCCCCCCC)=O)C(=O)OCCCC |