| SpectraBase Compound ID | HizC9O7Pp7a |
|---|---|
| InChI | InChI=1S/C15H29NO3/c1-4-5-6-7-8-9-14(17)16-11-10-15(18)19-12-13(2)3/h13H,4-12H2,1-3H3,(H,16,17) |
| InChIKey | UPNLWMMQTAQTJQ-UHFFFAOYSA-N |
| Mol Weight | 271.4 g/mol |
| Molecular Formula | C15H29NO3 |
| Exact Mass | 271.214744 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4if9q2tmFmO |
|---|---|
| Name | .beta.-Alanine, N-capryloyl-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.214743795 u |
| Formula | C15H29NO3 |
| InChI | InChI=1S/C15H29NO3/c1-4-5-6-7-8-9-14(17)16-11-10-15(18)19-12-13(2)3/h13H,4-12H2,1-3H3,(H,16,17) |
| InChIKey | UPNLWMMQTAQTJQ-UHFFFAOYSA-N |
| Molecular Weight | 271.401 g/mol |
| SMILES | CCCCCCCC(NCCC(OCC(C)C)=O)=O |