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Fumaric acid, naphth-2-yl 2,2,3,3,4,4,5,5-octafluoropentyl ester

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Fumaric acid, naphth-2-yl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID 9riPcrcJTZI
InChI InChI=1S/C19H12F8O4/c20-16(21)18(24,25)19(26,27)17(22,23)10-30-14(28)7-8-15(29)31-13-6-5-11-3-1-2-4-12(11)9-13/h1-9,16H,10H2/b8-7+
InChIKey FIUMQLALCJHFDF-BQYQJAHWSA-N
Mol Weight 456.29 g/mol
Molecular Formula C19H12F8O4
Exact Mass 456.060784 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CovMyn4U9u3
Name Fumaric acid, naphth-2-yl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 456.060784166 u
Formula C19H12F8O4
InChI InChI=1S/C19H12F8O4/c20-16(21)18(24,25)19(26,27)17(22,23)10-30-14(28)7-8-15(29)31-13-6-5-11-3-1-2-4-12(11)9-13/h1-9,16H,10H2/b8-7+
InChIKey FIUMQLALCJHFDF-BQYQJAHWSA-N
Molecular Weight 456.288 g/mol
SMILES C(\C=C\C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)(OC1=CC=C2C(=C1)C=CC=C2)=O