| SpectraBase Compound ID | 1mZRDLuSGPU |
|---|---|
| InChI | InChI=1S/C14H7F2NO2/c15-11-5-12(16)7-13(6-11)19-14(18)10-3-1-9(8-17)2-4-10/h1-7H |
| InChIKey | JJUACBTUQUZCGC-UHFFFAOYSA-N |
| Mol Weight | 259.21 g/mol |
| Molecular Formula | C14H7F2NO2 |
| Exact Mass | 259.044485 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JI9aSPqajVF |
|---|---|
| Name | 4-Cyanobenzoic acid, 3,5-difluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.044484793 u |
| Formula | C14H7F2NO2 |
| InChI | InChI=1S/C14H7F2NO2/c15-11-5-12(16)7-13(6-11)19-14(18)10-3-1-9(8-17)2-4-10/h1-7H |
| InChIKey | JJUACBTUQUZCGC-UHFFFAOYSA-N |
| Molecular Weight | 259.212 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OC1=CC(=CC(=C1)F)F)=O)C#N |