| SpectraBase Compound ID | 8AkelxoGJS |
|---|---|
| InChI | InChI=1S/C15H22F4O4/c1-3-4-5-6-7-11(2)23-13(21)9-8-12(20)22-10-15(18,19)14(16)17/h8-9,11,14H,3-7,10H2,1-2H3/b9-8+ |
| InChIKey | MFTHTHWQENCTBD-CMDGGOBGSA-N |
| Mol Weight | 342.33 g/mol |
| Molecular Formula | C15H22F4O4 |
| Exact Mass | 342.145422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8JovAsEAER0 |
|---|---|
| Name | Fumaric acid, 2-octyl 2,2,3,3-tetrafluoropropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.145421836 u |
| Formula | C15H22F4O4 |
| InChI | InChI=1S/C15H22F4O4/c1-3-4-5-6-7-11(2)23-13(21)9-8-12(20)22-10-15(18,19)14(16)17/h8-9,11,14H,3-7,10H2,1-2H3/b9-8+ |
| InChIKey | MFTHTHWQENCTBD-CMDGGOBGSA-N |
| Molecular Weight | 342.331 g/mol |
| SMILES | C(\C=C\C(OCC(C(F)F)(F)F)=O)(OC(CCCCCC)C)=O |