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Fumaric acid, pentafluorobenzyl 3-chlorophenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, pentafluorobenzyl 3-chlorophenyl ester
SpectraBase Compound ID kLSDVmTaRd
InChI InChI=1S/C17H8ClF5O4/c18-8-2-1-3-9(6-8)27-12(25)5-4-11(24)26-7-10-13(19)15(21)17(23)16(22)14(10)20/h1-6H,7H2/b5-4+
InChIKey YWGFYOJDDQSAEK-SNAWJCMRSA-N
Mol Weight 406.69 g/mol
Molecular Formula C17H8ClF5O4
Exact Mass 406.003127 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IFkSyfZkyMx
Name Fumaric acid, pentafluorobenzyl 3-chlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 406.003127249 u
Formula C17H8ClF5O4
InChI InChI=1S/C17H8ClF5O4/c18-8-2-1-3-9(6-8)27-12(25)5-4-11(24)26-7-10-13(19)15(21)17(23)16(22)14(10)20/h1-6H,7H2/b5-4+
InChIKey YWGFYOJDDQSAEK-SNAWJCMRSA-N
Molecular Weight 406.692 g/mol
SMILES C(\C=C\C(OC1=CC(=CC=C1)Cl)=O)(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O