| SpectraBase Compound ID | 5c8xBhwmg6P |
|---|---|
| InChI | InChI=1S/C21H7F21O7/c22-13(23,16(28,29)19(34,35)36)10(44)47-7-3-1-6(5-8(7)48-11(45)14(24,25)17(30,31)20(37,38)39)2-4-9(43)49-12(46)15(26,27)18(32,33)21(40,41)42/h1,3,5H,2,4H2 |
| InChIKey | LRUQJKNQQJQDQR-UHFFFAOYSA-N |
| Mol Weight | 770.25 g/mol |
| Molecular Formula | C21H7F21O7 |
| Exact Mass | 769.985644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G1lo8vQNzWe |
|---|---|
| Name | 3,4-di(Heptafluorobutyryloxy)hydrocinnamic acid, heptafluorobutyric acid anhydride |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 769.985643981 u |
| Formula | C21H7F21O7 |
| InChI | InChI=1S/C21H7F21O7/c22-13(23,16(28,29)19(34,35)36)10(44)47-7-3-1-6(5-8(7)48-11(45)14(24,25)17(30,31)20(37,38)39)2-4-9(43)49-12(46)15(26,27)18(32,33)21(40,41)42/h1,3,5H,2,4H2 |
| InChIKey | LRUQJKNQQJQDQR-UHFFFAOYSA-N |
| Molecular Weight | 770.246 g/mol |
| SMILES | C1(=C(C=CC(=C1)CCC(=O)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |