| SpectraBase Compound ID | HKAmrl25EPx |
|---|---|
| InChI | InChI=1S/C12H6F6O6/c13-11(14,15)9(21)23-6-2-1-5(4-8(19)20)3-7(6)24-10(22)12(16,17)18/h1-3H,4H2,(H,19,20) |
| InChIKey | PAAQNHJNKUDFES-UHFFFAOYSA-N |
| Mol Weight | 360.16 g/mol |
| Molecular Formula | C12H6F6O6 |
| Exact Mass | 360.006857 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 940hO4ZIB3y |
|---|---|
| Name | 3,4-di(Trifluoroacetyloxy)phenylacetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.006856885 u |
| Formula | C12H6F6O6 |
| InChI | InChI=1S/C12H6F6O6/c13-11(14,15)9(21)23-6-2-1-5(4-8(19)20)3-7(6)24-10(22)12(16,17)18/h1-3H,4H2,(H,19,20) |
| InChIKey | PAAQNHJNKUDFES-UHFFFAOYSA-N |
| Molecular Weight | 360.164 g/mol |
| SMILES | C1=C(C=C(C(=C1)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)CC(=O)O |