| SpectraBase Compound ID | J3DFwG2G3q7 |
|---|---|
| InChI | InChI=1S/C14HF27O2/c15-2(16,1(42)43)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)41/h(H,42,43) |
| InChIKey | RUDINRUXCKIXAJ-UHFFFAOYSA-N |
| Mol Weight | 714.12 g/mol |
| Molecular Formula | C14HF27O2 |
| Exact Mass | 713.95454 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3BZCOmv5ipa |
|---|---|
| Name | Perfluorotetradecanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 713.954539671 u |
| Formula | C14HF27O2 |
| InChI | InChI=1S/C14HF27O2/c15-2(16,1(42)43)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)41/h(H,42,43) |
| InChIKey | RUDINRUXCKIXAJ-UHFFFAOYSA-N |
| Molecular Weight | 714.117 g/mol |
| SMILES | OC(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O |