| SpectraBase Compound ID | HRG5vuJuBRh |
|---|---|
| InChI | InChI=1S/C21H36N2O/c1-3-5-7-9-11-13-19-23(18-12-10-8-6-4-2)21(24)20-14-16-22-17-15-20/h14-17H,3-13,18-19H2,1-2H3 |
| InChIKey | VKVQNQNWKVDQOV-UHFFFAOYSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C21H36N2O |
| Exact Mass | 332.282764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9JrpqZZpFWp |
|---|---|
| Name | Isonicotinamide, N-heptyl-N-octyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.282763786 u |
| Formula | C21H36N2O |
| InChI | InChI=1S/C21H36N2O/c1-3-5-7-9-11-13-19-23(18-12-10-8-6-4-2)21(24)20-14-16-22-17-15-20/h14-17H,3-13,18-19H2,1-2H3 |
| InChIKey | VKVQNQNWKVDQOV-UHFFFAOYSA-N |
| Molecular Weight | 332.532 g/mol |
| SMILES | CCCCCCCCN(C(C1=CC=NC=C1)=O)CCCCCCC |