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Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-cyanophenyl ester

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Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-cyanophenyl ester
SpectraBase Compound ID DHvwuuBNRWR
InChI InChI=1S/C16H11F8NO4/c17-13(18)15(21,22)16(23,24)14(19,20)8-28-11(26)5-6-12(27)29-10-3-1-9(7-25)2-4-10/h1-4,13H,5-6,8H2
InChIKey VQCODGTWHZFDLT-UHFFFAOYSA-N
Mol Weight 433.25 g/mol
Molecular Formula C16H11F8NO4
Exact Mass 433.056033 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2d6QqQEVZfA
Name Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-cyanophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 433.056033138 u
Formula C16H11F8NO4
InChI InChI=1S/C16H11F8NO4/c17-13(18)15(21,22)16(23,24)14(19,20)8-28-11(26)5-6-12(27)29-10-3-1-9(7-25)2-4-10/h1-4,13H,5-6,8H2
InChIKey VQCODGTWHZFDLT-UHFFFAOYSA-N
Molecular Weight 433.254 g/mol
SMILES C(CC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC=1C=CC(=CC1)C#N)=O