| SpectraBase Compound ID | FzhsrPHlXa2 |
|---|---|
| InChI | InChI=1S/C12H17F3O4/c1-9(2)4-3-7-18-10(16)5-6-11(17)19-8-12(13,14)15/h5-6,9H,3-4,7-8H2,1-2H3/b6-5+ |
| InChIKey | WOHSSEXDVCTWFT-AATRIKPKSA-N |
| Mol Weight | 282.26 g/mol |
| Molecular Formula | C12H17F3O4 |
| Exact Mass | 282.107894 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | yU7pOCv8u3 |
|---|---|
| Name | Fumaric acid, isohexyl 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.107893512 u |
| Formula | C12H17F3O4 |
| InChI | InChI=1S/C12H17F3O4/c1-9(2)4-3-7-18-10(16)5-6-11(17)19-8-12(13,14)15/h5-6,9H,3-4,7-8H2,1-2H3/b6-5+ |
| InChIKey | WOHSSEXDVCTWFT-AATRIKPKSA-N |
| Molecular Weight | 282.259 g/mol |
| SMILES | CC(C)CCCOC(\C=C\C(OCC(F)(F)F)=O)=O |