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Fumaric acid, 2,4,6-trichlorophenyl 2,2,3,3-tetrafluoropropyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2,4,6-trichlorophenyl 2,2,3,3-tetrafluoropropyl ester
SpectraBase Compound ID 2ww09eUS1P
InChI InChI=1S/C13H7Cl3F4O4/c14-6-3-7(15)11(8(16)4-6)24-10(22)2-1-9(21)23-5-13(19,20)12(17)18/h1-4,12H,5H2/b2-1+
InChIKey PXGGAIRITFBZQO-OWOJBTEDSA-N
Mol Weight 409.55 g/mol
Molecular Formula C13H7Cl3F4O4
Exact Mass 407.934604 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CBWTouVe2bd
Name Fumaric acid, 2,4,6-trichlorophenyl 2,2,3,3-tetrafluoropropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 407.934604453 u
Formula C13H7Cl3F4O4
InChI InChI=1S/C13H7Cl3F4O4/c14-6-3-7(15)11(8(16)4-6)24-10(22)2-1-9(21)23-5-13(19,20)12(17)18/h1-4,12H,5H2/b2-1+
InChIKey PXGGAIRITFBZQO-OWOJBTEDSA-N
Molecular Weight 409.548 g/mol
SMILES C(\C=C\C(OCC(C(F)F)(F)F)=O)(OC1=C(C=C(C=C1Cl)Cl)Cl)=O