| SpectraBase Compound ID | rhVOZBjhyG |
|---|---|
| InChI | InChI=1S/C21H39NO3/c1-3-5-7-9-11-13-18-25-21(24)19-15-14-17-22(19)20(23)16-12-10-8-6-4-2/h19H,3-18H2,1-2H3 |
| InChIKey | FAQDJMAPFJJPLT-UHFFFAOYSA-N |
| Mol Weight | 353.5 g/mol |
| Molecular Formula | C21H39NO3 |
| Exact Mass | 353.292994 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3rzSsXnYjZ3 |
|---|---|
| Name | L-Proline, N-octanoyl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.292994117 u |
| Formula | C21H39NO3 |
| InChI | InChI=1S/C21H39NO3/c1-3-5-7-9-11-13-18-25-21(24)19-15-14-17-22(19)20(23)16-12-10-8-6-4-2/h19H,3-18H2,1-2H3 |
| InChIKey | FAQDJMAPFJJPLT-UHFFFAOYSA-N |
| Molecular Weight | 353.547 g/mol |
| SMILES | C(CCC(N1CCCC1C(=O)OCCCCCCCC)=O)CCCC |