| SpectraBase Compound ID | GVrZzS7KvdK |
|---|---|
| InChI | InChI=1S/C21H43NO/c1-6-8-9-10-11-12-13-14-15-16-17-22(20(5)7-2)21(23)18-19(3)4/h19-20H,6-18H2,1-5H3 |
| InChIKey | MMCIDPIXEWJORK-UHFFFAOYSA-N |
| Mol Weight | 325.6 g/mol |
| Molecular Formula | C21H43NO |
| Exact Mass | 325.334465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5VEKJL5WCOF |
|---|---|
| Name | Isovaleramide, N-(2-butyl)-N-dodecyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.334465008 u |
| Formula | C21H43NO |
| InChI | InChI=1S/C21H43NO/c1-6-8-9-10-11-12-13-14-15-16-17-22(20(5)7-2)21(23)18-19(3)4/h19-20H,6-18H2,1-5H3 |
| InChIKey | MMCIDPIXEWJORK-UHFFFAOYSA-N |
| Molecular Weight | 325.581 g/mol |
| SMILES | C(N(CCCCCCCCCCCC)C(CC)C)(=O)CC(C)C |