| SpectraBase Compound ID | 8m27qy6lqb7 |
|---|---|
| InChI | InChI=1S/C17H23NO3/c1-3-4-6-13-8-10-14(11-9-13)16(19)18-12-5-7-15(18)17(20)21-2/h8-11,15H,3-7,12H2,1-2H3 |
| InChIKey | WXUPAZIYYXZGDA-UHFFFAOYSA-N |
| Mol Weight | 289.38 g/mol |
| Molecular Formula | C17H23NO3 |
| Exact Mass | 289.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6dBr8dS6dYL |
|---|---|
| Name | L-Proline, N-(4-butylbenzoyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.167793602 u |
| Formula | C17H23NO3 |
| InChI | InChI=1S/C17H23NO3/c1-3-4-6-13-8-10-14(11-9-13)16(19)18-12-5-7-15(18)17(20)21-2/h8-11,15H,3-7,12H2,1-2H3 |
| InChIKey | WXUPAZIYYXZGDA-UHFFFAOYSA-N |
| SMILES | CCCCC1=CC=C(C=C1)C(N1CCCC1C(OC)=O)=O |