| SpectraBase Compound ID | GxhN6cGvlvt |
|---|---|
| InChI | InChI=1S/C16H21NO3/c1-2-11-20-16(19)14-9-6-10-17(14)15(18)12-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3 |
| InChIKey | PQOPDPJUQMLYBL-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 | 7jU4gKBeNdc |
|---|---|
| Name | L-Proline, N-(phenylacetyl)-, 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/c1-2-11-20-16(19)14-9-6-10-17(14)15(18)12-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3 |
| InChIKey | PQOPDPJUQMLYBL-UHFFFAOYSA-N |
| Molecular Weight | 275.348 g/mol |
| SMILES | C(C(N1CCCC1C(OCCC)=O)=O)C1=CC=CC=C1 |