| SpectraBase Compound ID | JXLY72tXpns |
|---|---|
| InChI | InChI=1S/C11H10FNO2/c12-10-3-1-8(2-4-10)9(5-6-13)7-11(14)15/h1-4,9H,5,7H2,(H,14,15)/t9-/m0/s1 |
| InChIKey | DPXLKCGEGMYPML-VIFPVBQESA-N |
| Mol Weight | 207.2 g/mol |
| Molecular Formula | C11H10FNO2 |
| Exact Mass | 207.069557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | k1b1YuG9IW |
|---|---|
| Name | (3S)-4-Cyano-3-(4-fluorophenyl)butanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.069556727 u |
| Formula | C11H10FNO2 |
| InChI | InChI=1S/C11H10FNO2/c12-10-3-1-8(2-4-10)9(5-6-13)7-11(14)15/h1-4,9H,5,7H2,(H,14,15)/t9-/m0/s1 |
| InChIKey | DPXLKCGEGMYPML-VIFPVBQESA-N |
| Molecular Weight | 207.204 g/mol |
| SMILES | C(#N)C[C@@](CC(=O)O)(C=1C=CC(=CC1)F)[H] |