| SpectraBase Compound ID | 3OQMO2j9TV3 |
|---|---|
| InChI | InChI=1S/C16H24F4O4/c1-2-11-6-3-4-7-12(11)24-14(22)9-5-8-13(21)23-10-16(19,20)15(17)18/h11-12,15H,2-10H2,1H3 |
| InChIKey | UXPYQKPUUIGQOB-UHFFFAOYSA-N |
| Mol Weight | 356.36 g/mol |
| Molecular Formula | C16H24F4O4 |
| Exact Mass | 356.161072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3wLNdVck5dq |
|---|---|
| Name | Glutaric acid, 2,2,3,3-tetrafluoropropyl 2-ethylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.161071901 u |
| Formula | C16H24F4O4 |
| InChI | InChI=1S/C16H24F4O4/c1-2-11-6-3-4-7-12(11)24-14(22)9-5-8-13(21)23-10-16(19,20)15(17)18/h11-12,15H,2-10H2,1H3 |
| InChIKey | UXPYQKPUUIGQOB-UHFFFAOYSA-N |
| Molecular Weight | 356.358 g/mol |
| SMILES | C(CCC(OCC(C(F)F)(F)F)=O)C(OC1C(CC)CCCC1)=O |