| SpectraBase Compound ID | AOgJTEFKgLh |
|---|---|
| InChI | InChI=1S/C14H21F3O4/c1-2-3-4-5-6-7-10-20-12(18)8-9-13(19)21-11-14(15,16)17/h8-9H,2-7,10-11H2,1H3/b9-8+ |
| InChIKey | DIZNYYNYCFDXPH-CMDGGOBGSA-N |
| Mol Weight | 310.31 g/mol |
| Molecular Formula | C14H21F3O4 |
| Exact Mass | 310.139194 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KBUKo13lIMT |
|---|---|
| Name | Fumaric acid, octyl 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.139193641 u |
| Formula | C14H21F3O4 |
| InChI | InChI=1S/C14H21F3O4/c1-2-3-4-5-6-7-10-20-12(18)8-9-13(19)21-11-14(15,16)17/h8-9H,2-7,10-11H2,1H3/b9-8+ |
| InChIKey | DIZNYYNYCFDXPH-CMDGGOBGSA-N |
| Molecular Weight | 310.313 g/mol |
| SMILES | CCCCCCCCOC(\C=C\C(OCC(F)(F)F)=O)=O |