| SpectraBase Compound ID | FA2nbfXBfGi |
|---|---|
| InChI | InChI=1S/C16H23NO4/c1-4-10-21-16(19)17(11-13(2)15(18)20-3)12-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3 |
| InChIKey | QPFGJRPBWUZMKN-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 | KaU0ujVS5Oo |
|---|---|
| Name | N-Benzyl-N-(N-propyloxycarbonyl)-2-methyl-.beta.-alanine, methyl 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/c1-4-10-21-16(19)17(11-13(2)15(18)20-3)12-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3 |
| InChIKey | QPFGJRPBWUZMKN-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C=C1)CN(CC(C(OC)=O)C)C(OCCC)=O |