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Fumaric acid, 2-chlorophenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

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Fumaric acid, 2-chlorophenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID KMG0NAt06Vt
InChI InChI=1S/C15H9ClF8O4/c16-8-3-1-2-4-9(8)28-11(26)6-5-10(25)27-7-13(19,20)15(23,24)14(21,22)12(17)18/h1-6,12H,7H2/b6-5+
InChIKey RKDJOMPGENWKEY-AATRIKPKSA-N
Mol Weight 440.67 g/mol
Molecular Formula C15H9ClF8O4
Exact Mass 440.006162 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FBYV1hrh97D
Name Fumaric acid, 2-chlorophenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 440.006161770 u
Formula C15H9ClF8O4
InChI InChI=1S/C15H9ClF8O4/c16-8-3-1-2-4-9(8)28-11(26)6-5-10(25)27-7-13(19,20)15(23,24)14(21,22)12(17)18/h1-6,12H,7H2/b6-5+
InChIKey RKDJOMPGENWKEY-AATRIKPKSA-N
Molecular Weight 440.673 g/mol
SMILES C(\C=C\C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)(OC1=C(C=CC=C1)Cl)=O