| SpectraBase Compound ID | 80csMLuHvgV |
|---|---|
| InChI | InChI=1S/C25H47NO3/c1-3-5-7-9-10-11-12-13-15-17-22-29-25(28)23-19-18-21-26(23)24(27)20-16-14-8-6-4-2/h23H,3-22H2,1-2H3 |
| InChIKey | GTJZHSSAHUXOSW-UHFFFAOYSA-N |
| Mol Weight | 409.7 g/mol |
| Molecular Formula | C25H47NO3 |
| Exact Mass | 409.355594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4nU06dRa0sF |
|---|---|
| Name | L-Proline, N-octanoyl-, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 409.355594374 u |
| Formula | C25H47NO3 |
| InChI | InChI=1S/C25H47NO3/c1-3-5-7-9-10-11-12-13-15-17-22-29-25(28)23-19-18-21-26(23)24(27)20-16-14-8-6-4-2/h23H,3-22H2,1-2H3 |
| InChIKey | GTJZHSSAHUXOSW-UHFFFAOYSA-N |
| Molecular Weight | 409.655 g/mol |
| SMILES | C(CCC(N1CCCC1C(=O)OCCCCCCCCCCCC)=O)CCCC |