| SpectraBase Compound ID | Ebb1X1gZhK3 |
|---|---|
| InChI | InChI=1S/C13H11F5O5/c1-6(19)7-4-8(21-2)10(9(5-7)22-3)23-11(20)12(14,15)13(16,17)18/h4-5H,1-3H3 |
| InChIKey | KBYQEQDVILYJTP-UHFFFAOYSA-N |
| Mol Weight | 342.22 g/mol |
| Molecular Formula | C13H11F5O5 |
| Exact Mass | 342.052664 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | RlbiFIXOVa |
|---|---|
| Name | 4-Acetyl-2,6-dimethoxyphenyl 2,2,3,3,3-pentafluoropropanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.052664264 u |
| Formula | C13H11F5O5 |
| InChI | InChI=1S/C13H11F5O5/c1-6(19)7-4-8(21-2)10(9(5-7)22-3)23-11(20)12(14,15)13(16,17)18/h4-5H,1-3H3 |
| InChIKey | KBYQEQDVILYJTP-UHFFFAOYSA-N |
| Molecular Weight | 342.218 g/mol |
| SMILES | COC1=C(OC(C(C(F)(F)F)(F)F)=O)C(OC)=CC(=C1)C(C)=O |