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Fumaric acid, pentafluorobenzyl 2,4,6-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, pentafluorobenzyl 2,4,6-trichlorophenyl ester
SpectraBase Compound ID 6zHZnWsD7pT
InChI InChI=1S/C17H6Cl3F5O4/c18-6-3-8(19)17(9(20)4-6)29-11(27)2-1-10(26)28-5-7-12(21)14(23)16(25)15(24)13(7)22/h1-4H,5H2/b2-1+
InChIKey BDDSAMTTYHSXNH-OWOJBTEDSA-N
Mol Weight 475.58 g/mol
Molecular Formula C17H6Cl3F5O4
Exact Mass 473.925183 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 91Y086m9U6C
Name Fumaric acid, pentafluorobenzyl 2,4,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 473.925182584 u
Formula C17H6Cl3F5O4
InChI InChI=1S/C17H6Cl3F5O4/c18-6-3-8(19)17(9(20)4-6)29-11(27)2-1-10(26)28-5-7-12(21)14(23)16(25)15(24)13(7)22/h1-4H,5H2/b2-1+
InChIKey BDDSAMTTYHSXNH-OWOJBTEDSA-N
Molecular Weight 475.582 g/mol
SMILES C(\C=C\C(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O