| SpectraBase Compound ID | 6vna5A8PXIF |
|---|---|
| InChI | InChI=1S/C14H12F6O4/c15-9-4-1-2-5-10(9)24-12(22)7-3-6-11(21)23-8-13(16,17)14(18,19)20/h1-2,4-5H,3,6-8H2 |
| InChIKey | RIFVJWDRMSESDA-UHFFFAOYSA-N |
| Mol Weight | 358.24 g/mol |
| Molecular Formula | C14H12F6O4 |
| Exact Mass | 358.063978 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L6cxhfVBjVA |
|---|---|
| Name | Glutaric acid, 2-fluorophenyl 2,2,3,3,3-pentafluoropropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.063977840 u |
| Formula | C14H12F6O4 |
| InChI | InChI=1S/C14H12F6O4/c15-9-4-1-2-5-10(9)24-12(22)7-3-6-11(21)23-8-13(16,17)14(18,19)20/h1-2,4-5H,3,6-8H2 |
| InChIKey | RIFVJWDRMSESDA-UHFFFAOYSA-N |
| Molecular Weight | 358.236 g/mol |
| SMILES | C(CCC(OC1=CC=CC=C1F)=O)C(OCC(C(F)(F)F)(F)F)=O |