| SpectraBase Compound ID | 9F3d08t0MuV |
|---|---|
| InChI | InChI=1S/C14H8FNO2/c15-12-5-3-11(4-6-12)14(17)18-13-7-1-10(9-16)2-8-13/h1-8H |
| InChIKey | TWHFGFUEZBZGKR-UHFFFAOYSA-N |
| Mol Weight | 241.22 g/mol |
| Molecular Formula | C14H8FNO2 |
| Exact Mass | 241.053907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A293p4juRPU |
|---|---|
| Name | 4-Fluorobenzoic acid, 4-cyanophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.053906663 u |
| Formula | C14H8FNO2 |
| InChI | InChI=1S/C14H8FNO2/c15-12-5-3-11(4-6-12)14(17)18-13-7-1-10(9-16)2-8-13/h1-8H |
| InChIKey | TWHFGFUEZBZGKR-UHFFFAOYSA-N |
| Molecular Weight | 241.221 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OC1=CC=C(C#N)C=C1)=O)F |