![(E)-4-[[(1R)-1-phenylethyl]amino]-2-butenoic acid ethyl ester](/api/spectrum/C2EpjW1QDUo/structure.png?h=300&w=458 "(E)-4-[[(1R)-1-phenylethyl]amino]-2-butenoic acid ethyl ester")
| SpectraBase Compound ID | 49dwsGEqxNr |
|---|---|
| InChI | InChI=1S/C14H19NO2/c1-3-17-14(16)10-7-11-15-12(2)13-8-5-4-6-9-13/h4-10,12,15H,3,11H2,1-2H3/b10-7+/t12-/m1/s1 |
| InChIKey | NEIKKEHCDJLCSG-OFFHKIPUSA-N |
| Mol Weight | 233.31 g/mol |
| Molecular Formula | C14H19NO2 |
| Exact Mass | 233.141579 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C2EpjW1QDUo |
|---|---|
| Name | (E)-4-[[(1R)-1-phenylethyl]amino]-2-butenoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.141578854 u |
| Formula | C14H19NO2 |
| InChI | InChI=1S/C14H19NO2/c1-3-17-14(16)10-7-11-15-12(2)13-8-5-4-6-9-13/h4-10,12,15H,3,11H2,1-2H3/b10-7+/t12-/m1/s1 |
| InChIKey | NEIKKEHCDJLCSG-OFFHKIPUSA-N |
| Molecular Weight | 233.311 g/mol |
| SMILES | C(\C=C\CN[C@@](C=1C=CC=CC1)(C)[H])(=O)OCC |