| SpectraBase Compound ID | IJcFjx8ZChy |
|---|---|
| InChI | InChI=1S/C15H21NO4/c1-12(2)10-19-14(17)8-9-16-15(18)20-11-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,16,18) |
| InChIKey | OYYFZRCKKVHIQU-UHFFFAOYSA-N |
| Mol Weight | 279.34 g/mol |
| Molecular Formula | C15H21NO4 |
| Exact Mass | 279.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6S0qoDqnwDY |
|---|---|
| Name | .beta.-Alanine, N-benzyloxycarbonyl-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.147058156 u |
| Formula | C15H21NO4 |
| InChI | InChI=1S/C15H21NO4/c1-12(2)10-19-14(17)8-9-16-15(18)20-11-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,16,18) |
| InChIKey | OYYFZRCKKVHIQU-UHFFFAOYSA-N |
| Molecular Weight | 279.336 g/mol |
| SMILES | C1(=CC=CC=C1)COC(NCCC(OCC(C)C)=O)=O |