| SpectraBase Compound ID | JZWEK83vWkU |
|---|---|
| InChI | InChI=1S/C14H27NO3/c1-3-5-6-7-8-9-13(16)15-11-10-14(17)18-12-4-2/h3-12H2,1-2H3,(H,15,16) |
| InChIKey | NWDIUUYIHVIOJD-UHFFFAOYSA-N |
| Mol Weight | 257.37 g/mol |
| Molecular Formula | C14H27NO3 |
| Exact Mass | 257.199094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JqVO5GBAQxm |
|---|---|
| Name | .beta.-Alanine, N-capryloyl-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.199093730 u |
| Formula | C14H27NO3 |
| InChI | InChI=1S/C14H27NO3/c1-3-5-6-7-8-9-13(16)15-11-10-14(17)18-12-4-2/h3-12H2,1-2H3,(H,15,16) |
| InChIKey | NWDIUUYIHVIOJD-UHFFFAOYSA-N |
| Molecular Weight | 257.374 g/mol |
| SMILES | CCCCCCCC(NCCC(OCCC)=O)=O |