| SpectraBase Compound ID | 4xg0R22HrFR |
|---|---|
| InChI | InChI=1S/C25H51NO2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-25(27)28-24-22-8-6-4-2/h3-24H2,1-2H3,(H,26,27) |
| InChIKey | IVRQOHNVTHYCSF-UHFFFAOYSA-N |
| Mol Weight | 397.7 g/mol |
| Molecular Formula | C25H51NO2 |
| Exact Mass | 397.39198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1AjUcMN44YG |
|---|---|
| Name | Carbonic acid, monoamide, N-octadecyl-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 397.391979884 u |
| Formula | C25H51NO2 |
| InChI | InChI=1S/C25H51NO2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-25(27)28-24-22-8-6-4-2/h3-24H2,1-2H3,(H,26,27) |
| InChIKey | IVRQOHNVTHYCSF-UHFFFAOYSA-N |
| Molecular Weight | 397.688 g/mol |
| SMILES | C(NCCCCCCCCCCCCCCCCCC)(=O)OCCCCCC |