| SpectraBase Compound ID | HxaYfNIWInw |
|---|---|
| InChI | InChI=1S/C20H29NO3/c1-2-3-4-5-9-15-24-20(23)18-13-10-14-21(18)19(22)16-17-11-7-6-8-12-17/h6-8,11-12,18H,2-5,9-10,13-16H2,1H3 |
| InChIKey | MLKXXNMBKBQJLZ-UHFFFAOYSA-N |
| Mol Weight | 331.46 g/mol |
| Molecular Formula | C20H29NO3 |
| Exact Mass | 331.214744 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | saBkRXsQgl |
|---|---|
| Name | L-Proline, N-(phenylacetyl)-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.214743795 u |
| Formula | C20H29NO3 |
| InChI | InChI=1S/C20H29NO3/c1-2-3-4-5-9-15-24-20(23)18-13-10-14-21(18)19(22)16-17-11-7-6-8-12-17/h6-8,11-12,18H,2-5,9-10,13-16H2,1H3 |
| InChIKey | MLKXXNMBKBQJLZ-UHFFFAOYSA-N |
| Molecular Weight | 331.456 g/mol |
| SMILES | C1(=CC=CC=C1)CC(N1CCCC1C(=O)OCCCCCCC)=O |