| SpectraBase Compound ID | I9E1SDhjqky |
|---|---|
| InChI | InChI=1S/C15H7F4NO2/c16-12-3-1-2-11(15(17,18)19)13(12)14(21)22-10-6-4-9(8-20)5-7-10/h1-7H |
| InChIKey | DKFFNIWRTHIATA-UHFFFAOYSA-N |
| Mol Weight | 309.22 g/mol |
| Molecular Formula | C15H7F4NO2 |
| Exact Mass | 309.041291 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4akVd2AaTaC |
|---|---|
| Name | 2-Fluoro-6-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/c16-12-3-1-2-11(15(17,18)19)13(12)14(21)22-10-6-4-9(8-20)5-7-10/h1-7H |
| InChIKey | DKFFNIWRTHIATA-UHFFFAOYSA-N |
| Molecular Weight | 309.220 g/mol |
| SMILES | C(C1=CC=C(C=C1)OC(C1=C(C(F)(F)F)C=CC=C1F)=O)#N |