| SpectraBase Compound ID | I6JgWR07uHa |
|---|---|
| InChI | InChI=1S/C13H10F6O4/c1-2-22-9(20)11(14,15)13(18,19)12(16,17)10(21)23-8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
| InChIKey | RKERAWUFAAFHCU-UHFFFAOYSA-N |
| Mol Weight | 344.21 g/mol |
| Molecular Formula | C13H10F6O4 |
| Exact Mass | 344.048328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9RcGFqY40s3 |
|---|---|
| Name | 4-Carbethoxyhexafluorobutyric acid, phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.048327776 u |
| Formula | C13H10F6O4 |
| InChI | InChI=1S/C13H10F6O4/c1-2-22-9(20)11(14,15)13(18,19)12(16,17)10(21)23-8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
| InChIKey | RKERAWUFAAFHCU-UHFFFAOYSA-N |
| Molecular Weight | 344.209 g/mol |
| SMILES | C1=CC=C(C=C1)OC(C(C(C(C(OCC)=O)(F)F)(F)F)(F)F)=O |