| SpectraBase Compound ID | GNzVc10qzgt |
|---|---|
| InChI | InChI=1S/C15H20FNO4/c1-15(2,3)21-14(19)17-12(13(18)20-4)9-10-6-5-7-11(16)8-10/h5-8,12H,9H2,1-4H3,(H,17,19)/t12-/m1/s1 |
| InChIKey | QRWBVKBLYFSPCK-GFCCVEGCSA-N |
| Mol Weight | 297.33 g/mol |
| Molecular Formula | C15H20FNO4 |
| Exact Mass | 297.137636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C3I4KsvDXzL |
|---|---|
| Name | boc-3-Fluoro-D-phenylalanine, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.137636287 u |
| Formula | C15H20FNO4 |
| InChI | InChI=1S/C15H20FNO4/c1-15(2,3)21-14(19)17-12(13(18)20-4)9-10-6-5-7-11(16)8-10/h5-8,12H,9H2,1-4H3,(H,17,19)/t12-/m1/s1 |
| InChIKey | QRWBVKBLYFSPCK-GFCCVEGCSA-N |
| Molecular Weight | 297.326 g/mol |
| SMILES | C([C@@](CC1=CC(=CC=C1)F)(NC(=O)OC(C)(C)C)[H])(=O)OC |