| SpectraBase Compound ID | HTu81pZWSyf |
|---|---|
| InChI | InChI=1S/C16H23NO4/c1-4-20-15(18)13(3)11-17(16(19)21-5-2)12-14-9-7-6-8-10-14/h6-10,13H,4-5,11-12H2,1-3H3 |
| InChIKey | CROUWIHKVOCRGF-UHFFFAOYSA-N |
| Mol Weight | 293.36 g/mol |
| Molecular Formula | C16H23NO4 |
| Exact Mass | 293.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Wc28DgbU9G |
|---|---|
| Name | N-Benzyl-N-ethoxycarbonyl-2-methyl-.beta.-alanine, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.162708221 u |
| Formula | C16H23NO4 |
| InChI | InChI=1S/C16H23NO4/c1-4-20-15(18)13(3)11-17(16(19)21-5-2)12-14-9-7-6-8-10-14/h6-10,13H,4-5,11-12H2,1-3H3 |
| InChIKey | CROUWIHKVOCRGF-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C=C1)CN(CC(C(OCC)=O)C)C(OCC)=O |