| SpectraBase Compound ID | Gu19iR1acdX |
|---|---|
| InChI | InChI=1S/C13H11F5O4/c14-8-9(15)11(17)13(12(18)10(8)16)22-7(21)5-3-1-2-4-6(19)20/h1-5H2,(H,19,20) |
| InChIKey | UULCVWOLKXIGIG-UHFFFAOYSA-N |
| Mol Weight | 326.22 g/mol |
| Molecular Formula | C13H11F5O4 |
| Exact Mass | 326.05775 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2DTsr6I1cRw |
|---|---|
| Name | (Pentafluorophenyl) 1,7-heptanedioate - (monoester) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.057749645 u |
| Formula | C13H11F5O4 |
| InChI | InChI=1S/C13H11F5O4/c14-8-9(15)11(17)13(12(18)10(8)16)22-7(21)5-3-1-2-4-6(19)20/h1-5H2,(H,19,20) |
| InChIKey | UULCVWOLKXIGIG-UHFFFAOYSA-N |
| Molecular Weight | 326.219 g/mol |
| SMILES | C1(=C(C(F)=C(C(=C1F)F)F)F)OC(=O)CCCCCC(=O)O |