| SpectraBase Compound ID | Geg0Uvi29Gm |
|---|---|
| InChI | InChI=1S/C17H29NO3/c1-13(2)12-21-17(20)15-8-10-18(11-9-15)16(19)14-6-4-3-5-7-14/h13-15H,3-12H2,1-2H3 |
| InChIKey | MXYIEKAXGLJOIK-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 | 1rLBCwN39Tk |
|---|---|
| Name | Isonipecotic acid, N-(cyclohexylcarbonyl)-, isobutyl 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/c1-13(2)12-21-17(20)15-8-10-18(11-9-15)16(19)14-6-4-3-5-7-14/h13-15H,3-12H2,1-2H3 |
| InChIKey | MXYIEKAXGLJOIK-UHFFFAOYSA-N |
| SMILES | CC(C)COC(C1CCN(C(=O)C2CCCCC2)CC1)=O |