| SpectraBase Compound ID | 3zIm86uYGna |
|---|---|
| InChI | InChI=1S/C12H6F6O5/c1-5(19)7-4-6(22-9(20)11(13,14)15)2-3-8(7)23-10(21)12(16,17)18/h2-4H,1H3 |
| InChIKey | QEMKREIQNFKARJ-UHFFFAOYSA-N |
| Mol Weight | 344.17 g/mol |
| Molecular Formula | C12H6F6O5 |
| Exact Mass | 344.011942 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Er5hgaTM1dH |
|---|---|
| Name | 2,5-di(Trifluoroacetyloxy)acetophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.011942266 u |
| Formula | C12H6F6O5 |
| InChI | InChI=1S/C12H6F6O5/c1-5(19)7-4-6(22-9(20)11(13,14)15)2-3-8(7)23-10(21)12(16,17)18/h2-4H,1H3 |
| InChIKey | QEMKREIQNFKARJ-UHFFFAOYSA-N |
| Molecular Weight | 344.165 g/mol |
| SMILES | C1(=CC=C(C=C1C(C)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O |