| SpectraBase Compound ID | 57oTjXAQqEX |
|---|---|
| InChI | InChI=1S/C21H31NO3/c1-2-3-4-5-6-10-16-25-21(24)19-14-11-15-22(19)20(23)17-18-12-8-7-9-13-18/h7-9,12-13,19H,2-6,10-11,14-17H2,1H3 |
| InChIKey | ONZHULUGMQZYHJ-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 | 6aPKrPG5NBW |
|---|---|
| Name | L-Proline, N-(phenylacetyl)-, octyl 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/c1-2-3-4-5-6-10-16-25-21(24)19-14-11-15-22(19)20(23)17-18-12-8-7-9-13-18/h7-9,12-13,19H,2-6,10-11,14-17H2,1H3 |
| InChIKey | ONZHULUGMQZYHJ-UHFFFAOYSA-N |
| Molecular Weight | 345.483 g/mol |
| SMILES | C(C(N1CCCC1C(=O)OCCCCCCCC)=O)C1=CC=CC=C1 |