| SpectraBase Compound ID | K8rZi7D5JLS |
|---|---|
| InChI | InChI=1S/C12H17F3O4/c1-2-3-4-5-8-18-10(16)6-7-11(17)19-9-12(13,14)15/h6-7H,2-5,8-9H2,1H3/b7-6+ |
| InChIKey | JKIXSAJDJIUZII-VOTSOKGWSA-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 | 2Sr4be2h8jW |
|---|---|
| Name | Fumaric acid, hexyl 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/c1-2-3-4-5-8-18-10(16)6-7-11(17)19-9-12(13,14)15/h6-7H,2-5,8-9H2,1H3/b7-6+ |
| InChIKey | JKIXSAJDJIUZII-VOTSOKGWSA-N |
| Molecular Weight | 282.259 g/mol |
| SMILES | CCCCCCOC(\C=C\C(OCC(F)(F)F)=O)=O |