| SpectraBase Compound ID | 9iOR2ZgWqGz |
|---|---|
| InChI | InChI=1S/C17H11F5O4/c18-13-10(14(19)16(21)17(22)15(13)20)8-25-11(23)6-7-12(24)26-9-4-2-1-3-5-9/h1-5H,6-8H2 |
| InChIKey | PVNQTJMLDZDVHK-UHFFFAOYSA-N |
| Mol Weight | 374.26 g/mol |
| Molecular Formula | C17H11F5O4 |
| Exact Mass | 374.05775 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CzHPX15S5Cy |
|---|---|
| Name | Succinic acid, phenyl pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.057749645 u |
| Formula | C17H11F5O4 |
| InChI | InChI=1S/C17H11F5O4/c18-13-10(14(19)16(21)17(22)15(13)20)8-25-11(23)6-7-12(24)26-9-4-2-1-3-5-9/h1-5H,6-8H2 |
| InChIKey | PVNQTJMLDZDVHK-UHFFFAOYSA-N |
| Molecular Weight | 374.263 g/mol |
| SMILES | C1(=C(C(=C(C(=C1F)F)COC(CCC(OC1=CC=CC=C1)=O)=O)F)F)F |