| SpectraBase Compound ID | ItGN6XwUy32 |
|---|---|
| InChI | InChI=1S/C21H31NO3/c1-2-3-4-5-9-17-25-21(24)19-13-10-16-22(19)20(23)15-14-18-11-7-6-8-12-18/h6-8,11-12,19H,2-5,9-10,13-17H2,1H3 |
| InChIKey | QUWQYPUHAZSXNG-UHFFFAOYSA-N |
| Mol Weight | 345.48 g/mol |
| Molecular Formula | C21H31NO3 |
| Exact Mass | 345.230394 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A9Gnijkh6Sd |
|---|---|
| Name | L-Proline, N-(3-phenylpropionyl)-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.230393859 u |
| Formula | C21H31NO3 |
| InChI | InChI=1S/C21H31NO3/c1-2-3-4-5-9-17-25-21(24)19-13-10-16-22(19)20(23)15-14-18-11-7-6-8-12-18/h6-8,11-12,19H,2-5,9-10,13-17H2,1H3 |
| InChIKey | QUWQYPUHAZSXNG-UHFFFAOYSA-N |
| Molecular Weight | 345.483 g/mol |
| SMILES | C1=C(C=CC=C1)CCC(N1CCCC1C(=O)OCCCCCCC)=O |