| SpectraBase Compound ID | ZAj2wBlfHJ |
|---|---|
| InChI | InChI=1S/C25H49NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-29-24(27)20-21-26-25(28)23(2)3/h23H,4-22H2,1-3H3,(H,26,28) |
| InChIKey | ZXNDCWQUKBGJPR-UHFFFAOYSA-N |
| Mol Weight | 411.7 g/mol |
| Molecular Formula | C25H49NO3 |
| Exact Mass | 411.371244 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Nftms6RjY8 |
|---|---|
| Name | .beta.-Alanine, N-isobutyryl-, octadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 411.371244439 u |
| Formula | C25H49NO3 |
| InChI | InChI=1S/C25H49NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-29-24(27)20-21-26-25(28)23(2)3/h23H,4-22H2,1-3H3,(H,26,28) |
| InChIKey | ZXNDCWQUKBGJPR-UHFFFAOYSA-N |
| Molecular Weight | 411.671 g/mol |
| SMILES | CC(C)C(NCCC(OCCCCCCCCCCCCCCCCCC)=O)=O |