| SpectraBase Compound ID | 3FktHOOGnQa |
|---|---|
| InChI | InChI=1S/C16H12F4O2/c1-9-4-3-5-14(10(9)2)22-15(21)12-7-6-11(17)8-13(12)16(18,19)20/h3-8H,1-2H3 |
| InChIKey | MCGSVFZLTGZLNC-UHFFFAOYSA-N |
| Mol Weight | 312.26 g/mol |
| Molecular Formula | C16H12F4O2 |
| Exact Mass | 312.077342 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 | AaJ1QMMMwsb |
|---|---|
| Name | 4-Fluoro-2-trifluoromethylbenzoic acid, 2,3-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.077342276 u |
| Formula | C16H12F4O2 |
| InChI | InChI=1S/C16H12F4O2/c1-9-4-3-5-14(10(9)2)22-15(21)12-7-6-11(17)8-13(12)16(18,19)20/h3-8H,1-2H3 |
| InChIKey | MCGSVFZLTGZLNC-UHFFFAOYSA-N |
| Molecular Weight | 312.264 g/mol |
| SMILES | CC1=CC=CC(=C1C)OC(C1=C(C(F)(F)F)C=C(F)C=C1)=O |