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

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Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentafluorophenyl ester
SpectraBase Compound ID LHlBl35d2Gh
InChI InChI=1S/C15H7F13O4/c16-6-7(17)9(19)11(10(20)8(6)18)32-5(30)2-1-4(29)31-3-13(23,24)15(27,28)14(25,26)12(21)22/h12H,1-3H2
InChIKey VPFGJWOJVVKHGG-UHFFFAOYSA-N
Mol Weight 498.2 g/mol
Molecular Formula C15H7F13O4
Exact Mass 498.013675 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8rEXkLOX2yZ
Name Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentafluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 498.013674820 u
Formula C15H7F13O4
InChI InChI=1S/C15H7F13O4/c16-6-7(17)9(19)11(10(20)8(6)18)32-5(30)2-1-4(29)31-3-13(23,24)15(27,28)14(25,26)12(21)22/h12H,1-3H2
InChIKey VPFGJWOJVVKHGG-UHFFFAOYSA-N
Molecular Weight 498.196 g/mol
SMILES C(CC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O