| SpectraBase Compound ID | iNUxIq45C9 |
|---|---|
| InChI | InChI=1S/C17H29NO3/c1-13(2)12-21-17(20)15-8-5-11-18(15)16(19)10-9-14-6-3-4-7-14/h13-15H,3-12H2,1-2H3 |
| InChIKey | JABWRKOWFPHJQW-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 | LhNtyoHTZjp |
|---|---|
| Name | L-Proline, N-(3-cyclopentylpropionyl)-, 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)15-8-5-11-18(15)16(19)10-9-14-6-3-4-7-14/h13-15H,3-12H2,1-2H3 |
| InChIKey | JABWRKOWFPHJQW-UHFFFAOYSA-N |
| SMILES | C(N1CCCC1C(=O)OCC(C)C)(=O)CCC1CCCC1 |