| SpectraBase Compound ID | GspMNhhEjQm |
|---|---|
| InChI | InChI=1S/C22H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-21(24)17-18-23-22(25)20(2)3/h20H,4-19H2,1-3H3,(H,23,25) |
| InChIKey | WYXNMQPJPFDDGB-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 | KFgF8MizN1E |
|---|---|
| Name | .beta.-Alanine, N-isobutyryl-, pentadecyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-21(24)17-18-23-22(25)20(2)3/h20H,4-19H2,1-3H3,(H,23,25) |
| InChIKey | WYXNMQPJPFDDGB-UHFFFAOYSA-N |
| Molecular Weight | 369.590 g/mol |
| SMILES | CC(C)C(NCCC(OCCCCCCCCCCCCCCC)=O)=O |