| SpectraBase Compound ID | EmwiIrBVuXS |
|---|---|
| InChI | InChI=1S/C16H27NO3/c1-12(2)11-20-16(19)14-9-6-10-17(14)15(18)13-7-4-3-5-8-13/h12-14H,3-11H2,1-2H3 |
| InChIKey | NPAJIUMYWALDEX-UHFFFAOYSA-N |
| Mol Weight | 281.4 g/mol |
| Molecular Formula | C16H27NO3 |
| Exact Mass | 281.199094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5bYFIuRenae |
|---|---|
| Name | L-Proline, N-(cyclohexanecarbonyl)-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.199093730 u |
| Formula | C16H27NO3 |
| InChI | InChI=1S/C16H27NO3/c1-12(2)11-20-16(19)14-9-6-10-17(14)15(18)13-7-4-3-5-8-13/h12-14H,3-11H2,1-2H3 |
| InChIKey | NPAJIUMYWALDEX-UHFFFAOYSA-N |
| SMILES | C1(CCCCC1)C(N1CCCC1C(=O)OCC(C)C)=O |