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bis(Pentafluorophenyl)-4-methoxy-2,3,5,6-tetrafluorophenylmethane
SpectraBase Compound ID 31dZ1EPCeRn
InChI InChI=1S/C20H4F14O/c1-35-20-18(33)10(25)5(11(26)19(20)34)2(3-6(21)12(27)16(31)13(28)7(3)22)4-8(23)14(29)17(32)15(30)9(4)24/h2H,1H3
InChIKey BUGPITBVKWGPJW-UHFFFAOYSA-N
Mol Weight 526.23 g/mol
Molecular Formula C20H4F14O
Exact Mass 526.003859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KjsKFPt34bO
Name bis(Pentafluorophenyl)-4-methoxy-2,3,5,6-tetrafluorophenylmethane
Comments Computed using HOSE algorithm
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Exact Mass 526.003859030 u
Formula C20H4F14O
InChI InChI=1S/C20H4F14O/c1-35-20-18(33)10(25)5(11(26)19(20)34)2(3-6(21)12(27)16(31)13(28)7(3)22)4-8(23)14(29)17(32)15(30)9(4)24/h2H,1H3
InChIKey BUGPITBVKWGPJW-UHFFFAOYSA-N
Molecular Weight 526.229 g/mol
SMILES C(c1c(c(F)c(c(c1F)F)F)F)(c1c(c(F)c(c(c1F)F)OC)F)c1c(c(F)c(c(c1F)F)F)F