| SpectraBase Compound ID | ErixxuWFFpw |
|---|---|
| InChI | InChI=1S/C14H13FN2O2/c1-2-19-14(18)7-13(11(8-16)9-17)10-3-5-12(15)6-4-10/h3-6,11,13H,2,7H2,1H3 |
| InChIKey | FEHZWLJETLLENS-UHFFFAOYSA-N |
| Mol Weight | 260.27 g/mol |
| Molecular Formula | C14H13FN2O2 |
| Exact Mass | 260.096106 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JCMxM75zAcq |
|---|---|
| Name | Ethyl 4,4-dicyano-3-(4-fluorophenyl)butyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.096105828 u |
| Formula | C14H13FN2O2 |
| InChI | InChI=1S/C14H13FN2O2/c1-2-19-14(18)7-13(11(8-16)9-17)10-3-5-12(15)6-4-10/h3-6,11,13H,2,7H2,1H3 |
| InChIKey | FEHZWLJETLLENS-UHFFFAOYSA-N |
| Molecular Weight | 260.268 g/mol |
| SMILES | C(#N)C(C(CC(=O)OCC)C=1C=CC(=CC1)F)C#N |