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

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Fumaric acid, 4-nitrophenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID BVT81lbRWwX
InChI InChI=1S/C15H9F8NO6/c16-12(17)14(20,21)15(22,23)13(18,19)7-29-10(25)5-6-11(26)30-9-3-1-8(2-4-9)24(27)28/h1-6,12H,7H2/b6-5+
InChIKey PZDUQUDRWYMOKB-AATRIKPKSA-N
Mol Weight 451.23 g/mol
Molecular Formula C15H9F8NO6
Exact Mass 451.030212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 50ioqDj8JCk
Name Fumaric acid, 4-nitrophenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 451.030212312 u
Formula C15H9F8NO6
InChI InChI=1S/C15H9F8NO6/c16-12(17)14(20,21)15(22,23)13(18,19)7-29-10(25)5-6-11(26)30-9-3-1-8(2-4-9)24(27)28/h1-6,12H,7H2/b6-5+
InChIKey PZDUQUDRWYMOKB-AATRIKPKSA-N
Molecular Weight 451.225 g/mol
SMILES C(\C=C\C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)(OC1=CC=C(C=C1)N(=O)=O)=O