SpectraBase Compound ID | 3CNaKEjvbK5 |
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InChI | InChI=1S/C13H19F3O4/c1-2-3-4-5-6-9-19-11(17)7-8-12(18)20-10-13(14,15)16/h7-8H,2-6,9-10H2,1H3/b8-7+ |
InChIKey | WYONNXAXIRGLLL-BQYQJAHWSA-N |
Mol Weight | 296.29 g/mol |
Molecular Formula | C13H19F3O4 |
Exact Mass | 296.123544 g/mol |
SpectraBase Spectrum ID | IPXRYTio2MW |
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Name | Fumaric acid, heptyl 2,2,2-trifluoroethyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 296.123543577 u |
Formula | C13H19F3O4 |
InChI | InChI=1S/C13H19F3O4/c1-2-3-4-5-6-9-19-11(17)7-8-12(18)20-10-13(14,15)16/h7-8H,2-6,9-10H2,1H3/b8-7+ |
InChIKey | WYONNXAXIRGLLL-BQYQJAHWSA-N |
Molecular Weight | 296.286 g/mol |
SMILES | CCCCCCCOC(\C=C\C(OCC(F)(F)F)=O)=O |