| SpectraBase Compound ID | HQw0cNAZngz |
|---|---|
| InChI | InChI=1S/C10H13F3O4/c1-2-3-6-16-8(14)4-5-9(15)17-7-10(11,12)13/h4-5H,2-3,6-7H2,1H3/b5-4+ |
| InChIKey | JQLKQFVALOLEOG-SNAWJCMRSA-N |
| Mol Weight | 254.21 g/mol |
| Molecular Formula | C10H13F3O4 |
| Exact Mass | 254.076593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3YdhjiL5x9u |
|---|---|
| Name | Fumaric acid, butyl 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.076593384 u |
| Formula | C10H13F3O4 |
| InChI | InChI=1S/C10H13F3O4/c1-2-3-6-16-8(14)4-5-9(15)17-7-10(11,12)13/h4-5H,2-3,6-7H2,1H3/b5-4+ |
| InChIKey | JQLKQFVALOLEOG-SNAWJCMRSA-N |
| Molecular Weight | 254.205 g/mol |
| SMILES | C(COC(\C=C\C(OCCCC)=O)=O)(F)(F)F |