| SpectraBase Compound ID | KEmKKzjjr8y |
|---|---|
| InChI | InChI=1S/C9H10FNO2/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8H,11H2,(H,12,13)/t7-,8+/m0/s1 |
| InChIKey | HECUEIAXNNOLLY-JGVFFNPUSA-N |
| Mol Weight | 183.18 g/mol |
| Molecular Formula | C9H10FNO2 |
| Exact Mass | 183.069557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AsS4oVWJ4KF |
|---|---|
| Name | (2S,3S)-(+)-3-fluorophenylalanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.069556727 u |
| Formula | C9H10FNO2 |
| InChI | InChI=1S/C9H10FNO2/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8H,11H2,(H,12,13)/t7-,8+/m0/s1 |
| InChIKey | HECUEIAXNNOLLY-JGVFFNPUSA-N |
| Molecular Weight | 183.182 g/mol |
| SMILES | C(=O)([C@](N)([C@@](F)(C1=CC=CC=C1)[H])[H])O |