| SpectraBase Compound ID | L5wUNhViNmi |
|---|---|
| InChI | InChI=1S/C14H13F5O4/c15-9-10(16)12(18)14(13(19)11(9)17)23-8(22)6-4-2-1-3-5-7(20)21/h1-6H2,(H,20,21) |
| InChIKey | BHYTYLIHLBVUBI-UHFFFAOYSA-N |
| Mol Weight | 340.25 g/mol |
| Molecular Formula | C14H13F5O4 |
| Exact Mass | 340.0734 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6EuXfek2dz2 |
|---|---|
| Name | (Pentafluorophenyl) 1,8-octanedioate - (monoester) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.073399710 u |
| Formula | C14H13F5O4 |
| InChI | InChI=1S/C14H13F5O4/c15-9-10(16)12(18)14(13(19)11(9)17)23-8(22)6-4-2-1-3-5-7(20)21/h1-6H2,(H,20,21) |
| InChIKey | BHYTYLIHLBVUBI-UHFFFAOYSA-N |
| Molecular Weight | 340.246 g/mol |
| SMILES | C1(=C(C(F)=C(C(=C1F)F)F)F)OC(=O)CCCCCCC(=O)O |