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

View entire compound with spectra: 1 NMR

Fumaric acid, 4-chlorobenzyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID 5J1OplPRu3x
InChI InChI=1S/C16H11ClF8O4/c17-10-3-1-9(2-4-10)7-28-11(26)5-6-12(27)29-8-14(20,21)16(24,25)15(22,23)13(18)19/h1-6,13H,7-8H2/b6-5+
InChIKey VDQBIVORUJXYSW-AATRIKPKSA-N
Mol Weight 454.7 g/mol
Molecular Formula C16H11ClF8O4
Exact Mass 454.021812 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4WceJQnqzS
Name Fumaric acid, 4-chlorobenzyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 454.021811834 u
Formula C16H11ClF8O4
InChI InChI=1S/C16H11ClF8O4/c17-10-3-1-9(2-4-10)7-28-11(26)5-6-12(27)29-8-14(20,21)16(24,25)15(22,23)13(18)19/h1-6,13H,7-8H2/b6-5+
InChIKey VDQBIVORUJXYSW-AATRIKPKSA-N
Molecular Weight 454.700 g/mol
SMILES C(\C=C\C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)(OCC1=CC=C(C=C1)Cl)=O