| SpectraBase Compound ID | H1b9ZVtK0OJ |
|---|---|
| InChI | InChI=1S/C17H29NO3/c1-2-3-13-21-17(20)15-9-11-18(12-10-15)16(19)14-7-5-4-6-8-14/h14-15H,2-13H2,1H3 |
| InChIKey | ATNVQFKIYIGLEU-UHFFFAOYSA-N |
| Mol Weight | 295.42 g/mol |
| Molecular Formula | C17H29NO3 |
| Exact Mass | 295.214744 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3wM8HrsNNlL |
|---|---|
| Name | Isonipecotic acid, N-(cyclohexylcarbonyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.214743795 u |
| Formula | C17H29NO3 |
| InChI | InChI=1S/C17H29NO3/c1-2-3-13-21-17(20)15-9-11-18(12-10-15)16(19)14-7-5-4-6-8-14/h14-15H,2-13H2,1H3 |
| InChIKey | ATNVQFKIYIGLEU-UHFFFAOYSA-N |
| SMILES | CCCCOC(C1CCN(C(=O)C2CCCCC2)CC1)=O |