| SpectraBase Compound ID | 3lCupsn7vsA |
|---|---|
| InChI | InChI=1S/C15H23F3O4/c1-2-3-4-5-6-7-8-11-21-13(19)9-10-14(20)22-12-15(16,17)18/h9-10H,2-8,11-12H2,1H3/b10-9+ |
| InChIKey | AKTRXRNBBHKVKL-MDZDMXLPSA-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 | J8KIOERVMRv |
|---|---|
| Name | Fumaric acid, nonyl 2,2,2-trifluoroethyl 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/c1-2-3-4-5-6-7-8-11-21-13(19)9-10-14(20)22-12-15(16,17)18/h9-10H,2-8,11-12H2,1H3/b10-9+ |
| InChIKey | AKTRXRNBBHKVKL-MDZDMXLPSA-N |
| Molecular Weight | 324.340 g/mol |
| SMILES | C(COC(\C=C\C(OCCCCCCCCC)=O)=O)(F)(F)F |