| SpectraBase Compound ID | 13cURWuOu6d |
|---|---|
| InChI | InChI=1S/C16H23NO5/c1-16(2,3)22-15(20)17(11-21-4)13(14(18)19)10-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,18,19)/t13-/m0/s1 |
| InChIKey | YLPQKJJHJCSYFC-ZDUSSCGKSA-N |
| Mol Weight | 309.36 g/mol |
| Molecular Formula | C16H23NO5 |
| Exact Mass | 309.157623 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | r9RWvxbZb1 |
|---|---|
| Name | (S)-2-(Tert-butoxycarbonyl-methoxymethyl-amino)-3-phenyl-propionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.157622840 u |
| Formula | C16H23NO5 |
| InChI | InChI=1S/C16H23NO5/c1-16(2,3)22-15(20)17(11-21-4)13(14(18)19)10-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,18,19)/t13-/m0/s1 |
| InChIKey | YLPQKJJHJCSYFC-ZDUSSCGKSA-N |
| SMILES | C(N([C@](C(=O)O)(CC1=CC=CC=C1)[H])COC)(OC(C)(C)C)=O |