![2-(E)-Pentenoic acid, (4S)-4-[(tert-butyloxycarbonyl)amino]-5-phenyl-](/api/spectrum/Hl4bllowumb/structure.png?h=300&w=458 "2-(E)-Pentenoic acid, (4S)-4-[(tert-butyloxycarbonyl)amino]-5-phenyl-")
| SpectraBase Compound ID | IEptCRLgVQb |
|---|---|
| InChI | InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-13(9-10-14(18)19)11-12-7-5-4-6-8-12/h4-10,13H,11H2,1-3H3,(H,17,20)(H,18,19)/b10-9+ |
| InChIKey | AAPMMQYSZDNRPM-MDZDMXLPSA-N |
| Mol Weight | 291.35 g/mol |
| Molecular Formula | C16H21NO4 |
| Exact Mass | 291.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Hl4bllowumb |
|---|---|
| Name | 2-(E)-Pentenoic acid, (4S)-4-[(tert-butyloxycarbonyl)amino]-5-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.147058156 u |
| Formula | C16H21NO4 |
| InChI | InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-13(9-10-14(18)19)11-12-7-5-4-6-8-12/h4-10,13H,11H2,1-3H3,(H,17,20)(H,18,19)/b10-9+ |
| InChIKey | AAPMMQYSZDNRPM-MDZDMXLPSA-N |
| SMILES | N(C(OC(C)(C)C)=O)C(\C=C\C(=O)O)Cc1ccccc1 |