| SpectraBase Compound ID | GNVJiDy3DOr |
|---|---|
| InChI | InChI=1S/C16H13F19O2/c1-2-3-4-5-6-37-7(36)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)35/h2-6H2,1H3 |
| InChIKey | QESYXRPDOPLGRY-UHFFFAOYSA-N |
| Mol Weight | 598.25 g/mol |
| Molecular Formula | C16H13F19O2 |
| Exact Mass | 598.061215 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C9u1NnSwvHf |
|---|---|
| Name | Perfluorodecanoic acid hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 598.061214754 u |
| Formula | C16H13F19O2 |
| InChI | InChI=1S/C16H13F19O2/c1-2-3-4-5-6-37-7(36)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)35/h2-6H2,1H3 |
| InChIKey | QESYXRPDOPLGRY-UHFFFAOYSA-N |
| Molecular Weight | 598.248 g/mol |
| SMILES | C(C(C(C(C(C(OCCCCCC)=O)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F |