| SpectraBase Compound ID | 79ncrrKm2a6 |
|---|---|
| InChI | InChI=1S/C22H43NO3/c1-4-6-8-9-10-11-12-13-14-15-16-17-19-26-22(25)20(3)23-21(24)18-7-5-2/h20H,4-19H2,1-3H3,(H,23,24) |
| InChIKey | XCFHRSQDPUKPRD-UHFFFAOYSA-N |
| Mol Weight | 369.6 g/mol |
| Molecular Formula | C22H43NO3 |
| Exact Mass | 369.324294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HH7k34qfBjh |
|---|---|
| Name | L-Alanine, N-valeryl-, tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 369.324294246 u |
| Formula | C22H43NO3 |
| InChI | InChI=1S/C22H43NO3/c1-4-6-8-9-10-11-12-13-14-15-16-17-19-26-22(25)20(3)23-21(24)18-7-5-2/h20H,4-19H2,1-3H3,(H,23,24) |
| InChIKey | XCFHRSQDPUKPRD-UHFFFAOYSA-N |
| Molecular Weight | 369.590 g/mol |
| SMILES | C(COC(C(NC(=O)CCCC)C)=O)CCCCCCCCCCCC |