| SpectraBase Compound ID | HjpIRtsGtbi |
|---|---|
| InChI | InChI=1S/C14H7Cl2F3O2/c15-10-6-3-7-11(12(10)16)21-13(20)8-4-1-2-5-9(8)14(17,18)19/h1-7H |
| InChIKey | ITKDKSGUZVFOIG-UHFFFAOYSA-N |
| Mol Weight | 335.11 g/mol |
| Molecular Formula | C14H7Cl2F3O2 |
| Exact Mass | 333.977519 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 | 3uqG6G8s1s0 |
|---|---|
| Name | 2-Trifluoromethylbenzoic acid, 2,3-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.977519352 u |
| Formula | C14H7Cl2F3O2 |
| InChI | InChI=1S/C14H7Cl2F3O2/c15-10-6-3-7-11(12(10)16)21-13(20)8-4-1-2-5-9(8)14(17,18)19/h1-7H |
| InChIKey | ITKDKSGUZVFOIG-UHFFFAOYSA-N |
| Molecular Weight | 335.109 g/mol |
| SMILES | C(C1=CC=CC=C1C(=O)OC1=CC=CC(=C1Cl)Cl)(F)(F)F |