| SpectraBase Compound ID | B2qyIzFeQYb |
|---|---|
| InChI | InChI=1S/C20H37NO3/c1-3-5-7-9-11-15-19(22)21-16-13-14-18(21)20(23)24-17-12-10-8-6-4-2/h18H,3-17H2,1-2H3 |
| InChIKey | KXWHCGVPHFKZMV-UHFFFAOYSA-N |
| Mol Weight | 339.5 g/mol |
| Molecular Formula | C20H37NO3 |
| Exact Mass | 339.277344 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7aWHcPqCO9M |
|---|---|
| Name | L-Proline, N-(octanoyl)-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.277344052 u |
| Formula | C20H37NO3 |
| InChI | InChI=1S/C20H37NO3/c1-3-5-7-9-11-15-19(22)21-16-13-14-18(21)20(23)24-17-12-10-8-6-4-2/h18H,3-17H2,1-2H3 |
| InChIKey | KXWHCGVPHFKZMV-UHFFFAOYSA-N |
| Molecular Weight | 339.520 g/mol |
| SMILES | C(CCCCC(N1CCCC1C(=O)OCCCCCCC)=O)CC |