| SpectraBase Compound ID | CqVkaa9lOKt |
|---|---|
| InChI | InChI=1S/C14H12F6O4/c1-3-23-10(21)12(15,16)14(19,20)13(17,18)11(22)24-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3 |
| InChIKey | YIBJUWIEGJFVRI-UHFFFAOYSA-N |
| Mol Weight | 358.24 g/mol |
| Molecular Formula | C14H12F6O4 |
| Exact Mass | 358.063978 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jx0GavlfnQg |
|---|---|
| Name | 4-Carbethoxyhexafluorobutyric acid, 4-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.063977840 u |
| Formula | C14H12F6O4 |
| InChI | InChI=1S/C14H12F6O4/c1-3-23-10(21)12(15,16)14(19,20)13(17,18)11(22)24-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3 |
| InChIKey | YIBJUWIEGJFVRI-UHFFFAOYSA-N |
| Molecular Weight | 358.236 g/mol |
| SMILES | C1(=CC=C(C=C1)OC(C(C(C(C(OCC)=O)(F)F)(F)F)(F)F)=O)C |