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Fumaric acid, heptyl 2,2,2-trifluoroethyl ester
SpectraBase Compound ID 3CNaKEjvbK5
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IPXRYTio2MW
Name Fumaric acid, heptyl 2,2,2-trifluoroethyl ester
Comments Computed using HOSE algorithm
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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