| SpectraBase Compound ID | C4Zi4jTEQt6 |
|---|---|
| InChI | InChI=1S/C15H7F4NO2/c16-13-11(2-1-3-12(13)15(17,18)19)14(21)22-10-6-4-9(8-20)5-7-10/h1-7H |
| InChIKey | YZGFCOJAXUVUGU-UHFFFAOYSA-N |
| Mol Weight | 309.22 g/mol |
| Molecular Formula | C15H7F4NO2 |
| Exact Mass | 309.041291 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Bq5mxDDKUV |
|---|---|
| Name | 2-Fluoro-3-trifluoromethylbenzoic acid, 4-cyanophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.041291119 u |
| Formula | C15H7F4NO2 |
| InChI | InChI=1S/C15H7F4NO2/c16-13-11(2-1-3-12(13)15(17,18)19)14(21)22-10-6-4-9(8-20)5-7-10/h1-7H |
| InChIKey | YZGFCOJAXUVUGU-UHFFFAOYSA-N |
| Molecular Weight | 309.220 g/mol |
| SMILES | C(C1=CC=C(OC(C2=C(C(=CC=C2)C(F)(F)F)F)=O)C=C1)#N |