| SpectraBase Compound ID | L68pAq7lobQ |
|---|---|
| InChI | InChI=1S/C29H55NO3/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-26-33-29(32)27-23-22-25-30(27)28(31)24-20-18-8-6-4-2/h27H,3-26H2,1-2H3 |
| InChIKey | PXNYPNSQIACAIU-UHFFFAOYSA-N |
| Mol Weight | 465.8 g/mol |
| Molecular Formula | C29H55NO3 |
| Exact Mass | 465.418195 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Di2AygVfjHP |
|---|---|
| Name | L-Proline, N-octanoyl-, hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 465.418194632 u |
| Formula | C29H55NO3 |
| InChI | InChI=1S/C29H55NO3/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-26-33-29(32)27-23-22-25-30(27)28(31)24-20-18-8-6-4-2/h27H,3-26H2,1-2H3 |
| InChIKey | PXNYPNSQIACAIU-UHFFFAOYSA-N |
| Molecular Weight | 465.763 g/mol |
| SMILES | C(CCC(N1CCCC1C(=O)OCCCCCCCCCCCCCCCC)=O)CCCC |