| SpectraBase Compound ID | 45JHPznIk73 |
|---|---|
| InChI | InChI=1S/C14H20N2O4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8,15H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1 |
| InChIKey | NDMVQEZKACRLDP-NSHDSACASA-N |
| Mol Weight | 280.32 g/mol |
| Molecular Formula | C14H20N2O4 |
| Exact Mass | 280.142307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EI8ExswSN3 |
|---|---|
| Name | (2S)-3-(4-Aminophenyl)-2-(tert-butoxycarbonylamino)propionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.142307128 u |
| Formula | C14H20N2O4 |
| InChI | InChI=1S/C14H20N2O4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8,15H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1 |
| InChIKey | NDMVQEZKACRLDP-NSHDSACASA-N |
| SMILES | C(N[C@](C(=O)O)(CC=1C=CC(=CC1)N)[H])(OC(C)(C)C)=O |