| SpectraBase Compound ID | G1zUIFCcY6 |
|---|---|
| InChI | InChI=1S/C15H23F3O4/c1-4-6-7-12(5-2)10-21-13(19)8-9-14(20)22-11(3)15(16,17)18/h8-9,11-12H,4-7,10H2,1-3H3/b9-8+ |
| InChIKey | JVUVRLBFZQCDSG-CMDGGOBGSA-N |
| Mol Weight | 324.34 g/mol |
| Molecular Formula | C15H23F3O4 |
| Exact Mass | 324.154844 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JXlYpSKOSmD |
|---|---|
| Name | Fumaric acid, 2-ethylhexyl 1,1,1-trifluoroprop-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.154843706 u |
| Formula | C15H23F3O4 |
| InChI | InChI=1S/C15H23F3O4/c1-4-6-7-12(5-2)10-21-13(19)8-9-14(20)22-11(3)15(16,17)18/h8-9,11-12H,4-7,10H2,1-3H3/b9-8+ |
| InChIKey | JVUVRLBFZQCDSG-CMDGGOBGSA-N |
| Molecular Weight | 324.340 g/mol |
| SMILES | C(\C=C\C(OC(C)C(F)(F)F)=O)(OCC(CC)CCCC)=O |