| SpectraBase Compound ID | 9IDiWIy4f6Q |
|---|---|
| InChI | InChI=1S/C19H33NO3/c1-2-3-4-8-15-23-19(22)17-11-13-20(14-12-17)18(21)16-9-6-5-7-10-16/h16-17H,2-15H2,1H3 |
| InChIKey | IWUYCLZCLHOASQ-UHFFFAOYSA-N |
| Mol Weight | 323.5 g/mol |
| Molecular Formula | C19H33NO3 |
| Exact Mass | 323.246044 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GNOgkqpUtLQ |
|---|---|
| Name | Isonipecotic acid, N-(cyclohexylcarbonyl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.246043924 u |
| Formula | C19H33NO3 |
| InChI | InChI=1S/C19H33NO3/c1-2-3-4-8-15-23-19(22)17-11-13-20(14-12-17)18(21)16-9-6-5-7-10-16/h16-17H,2-15H2,1H3 |
| InChIKey | IWUYCLZCLHOASQ-UHFFFAOYSA-N |
| Molecular Weight | 323.477 g/mol |
| SMILES | CCCCCCOC(C1CCN(C(=O)C2CCCCC2)CC1)=O |