| SpectraBase Compound ID | GWx4LYgJGno |
|---|---|
| InChI | InChI=1S/C16H21NO3/c1-3-10-20-16(19)14-8-5-9-17(14)15(18)13-7-4-6-12(2)11-13/h4,6-7,11,14H,3,5,8-10H2,1-2H3 |
| InChIKey | PBPOHMHICPJDES-UHFFFAOYSA-N |
| Mol Weight | 275.35 g/mol |
| Molecular Formula | C16H21NO3 |
| Exact Mass | 275.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GKW243tTdWO |
|---|---|
| Name | L-Proline, N-(3-methylbenzoyl)-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.152143537 u |
| Formula | C16H21NO3 |
| InChI | InChI=1S/C16H21NO3/c1-3-10-20-16(19)14-8-5-9-17(14)15(18)13-7-4-6-12(2)11-13/h4,6-7,11,14H,3,5,8-10H2,1-2H3 |
| InChIKey | PBPOHMHICPJDES-UHFFFAOYSA-N |
| Molecular Weight | 275.348 g/mol |
| SMILES | C1(=CC=CC(=C1)C(N1CCCC1C(OCCC)=O)=O)C |