| SpectraBase Compound ID | FcU7dFvI3gR |
|---|---|
| InChI | InChI=1S/C14H7BrF4O2/c15-11-7-8(16)5-6-12(11)21-13(20)9-3-1-2-4-10(9)14(17,18)19/h1-7H |
| InChIKey | TZOAFPPYRMIKQT-UHFFFAOYSA-N |
| Mol Weight | 363.11 g/mol |
| Molecular Formula | C14H7BrF4O2 |
| Exact Mass | 361.956555 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 | 6cBOZEDpu4R |
|---|---|
| Name | 2-Trifluoromethylbenzoic acid, 2-bromo-4-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.956555115 u |
| Formula | C14H7BrF4O2 |
| InChI | InChI=1S/C14H7BrF4O2/c15-11-7-8(16)5-6-12(11)21-13(20)9-3-1-2-4-10(9)14(17,18)19/h1-7H |
| InChIKey | TZOAFPPYRMIKQT-UHFFFAOYSA-N |
| Molecular Weight | 363.106 g/mol |
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)C(OC1=CC=C(C=C1Br)F)=O |