| SpectraBase Compound ID | 8smmQRb1eqU |
|---|---|
| InChI | InChI=1S/C23H45NO3/c1-3-5-7-8-9-10-11-12-13-14-15-17-21-27-23(26)19-20-24-22(25)18-16-6-4-2/h3-21H2,1-2H3,(H,24,25) |
| InChIKey | VDBNJRPKDOGMMI-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 | 57ovJtn2yUh |
|---|---|
| Name | .beta.-Alanine, N-caproyl-, tetradecyl 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/c1-3-5-7-8-9-10-11-12-13-14-15-17-21-27-23(26)19-20-24-22(25)18-16-6-4-2/h3-21H2,1-2H3,(H,24,25) |
| InChIKey | VDBNJRPKDOGMMI-UHFFFAOYSA-N |
| Molecular Weight | 383.617 g/mol |
| SMILES | CCCCCC(NCCC(OCCCCCCCCCCCCCC)=O)=O |