| SpectraBase Compound ID | 7M1YqC60Avp |
|---|---|
| InChI | InChI=1S/C11H10F8O4/c1-2-22-6(20)3-4-7(21)23-5-9(14,15)11(18,19)10(16,17)8(12)13/h3-4,8H,2,5H2,1H3/b4-3+ |
| InChIKey | RECSWTWQJZPFQW-ONEGZZNKSA-N |
| Mol Weight | 358.18 g/mol |
| Molecular Formula | C11H10F8O4 |
| Exact Mass | 358.045134 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IzdPUhN3vr0 |
|---|---|
| Name | Fumaric acid, ethyl 2,2,3,3,4,4,5,5-octafluoropentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.045134102 u |
| Formula | C11H10F8O4 |
| InChI | InChI=1S/C11H10F8O4/c1-2-22-6(20)3-4-7(21)23-5-9(14,15)11(18,19)10(16,17)8(12)13/h3-4,8H,2,5H2,1H3/b4-3+ |
| InChIKey | RECSWTWQJZPFQW-ONEGZZNKSA-N |
| Molecular Weight | 358.184 g/mol |
| SMILES | C(\C=C\C(OCC)=O)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O |