| SpectraBase Compound ID | 2Peq6Rnb8vR |
|---|---|
| InChI | InChI=1S/C23H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-22(25)18-19-24-23(26)21(2)3/h21H,4-20H2,1-3H3,(H,24,26) |
| InChIKey | KBFKGMGKZVLMFL-UHFFFAOYSA-N |
| Mol Weight | 383.6 g/mol |
| Molecular Formula | C23H45NO3 |
| Exact Mass | 383.339944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ii8YnrIk3OK |
|---|---|
| Name | .beta.-Alanine, N-isobutyryl-, hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 383.339944310 u |
| Formula | C23H45NO3 |
| InChI | InChI=1S/C23H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-22(25)18-19-24-23(26)21(2)3/h21H,4-20H2,1-3H3,(H,24,26) |
| InChIKey | KBFKGMGKZVLMFL-UHFFFAOYSA-N |
| Molecular Weight | 383.617 g/mol |
| SMILES | CC(C)C(NCCC(OCCCCCCCCCCCCCCCC)=O)=O |