| SpectraBase Compound ID | G0cAnSl6R8e |
|---|---|
| InChI | InChI=1S/C15H21NO4/c1-4-20-15(18)16(10-12(2)14(17)19-3)11-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3 |
| InChIKey | LUDANIKYOJBQEV-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 | 894b6kutlMc |
|---|---|
| Name | N-Benzyl-N-ethoxycarbonyl-2-methyl-.beta.-alanine, methyl 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/c1-4-20-15(18)16(10-12(2)14(17)19-3)11-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3 |
| InChIKey | LUDANIKYOJBQEV-UHFFFAOYSA-N |
| Molecular Weight | 279.336 g/mol |
| SMILES | C1=CC=C(C=C1)CN(CC(C(OC)=O)C)C(OCC)=O |