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Sebacic acid, di(pentafluorophenyl) ester

View entire compound with spectra: 1 NMR

Sebacic acid, di(pentafluorophenyl) ester
SpectraBase Compound ID D5i9HnJDteZ
InChI InChI=1S/C22H16F10O4/c23-11-13(25)17(29)21(18(30)14(11)26)35-9(33)7-5-3-1-2-4-6-8-10(34)36-22-19(31)15(27)12(24)16(28)20(22)32/h1-8H2
InChIKey DGAJTTIRRZZDGA-UHFFFAOYSA-N
Mol Weight 534.35 g/mol
Molecular Formula C22H16F10O4
Exact Mass 534.088891 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HBOzyld61XK
Name Sebacic acid, di(pentafluorophenyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 534.088890621 u
Formula C22H16F10O4
InChI InChI=1S/C22H16F10O4/c23-11-13(25)17(29)21(18(30)14(11)26)35-9(33)7-5-3-1-2-4-6-8-10(34)36-22-19(31)15(27)12(24)16(28)20(22)32/h1-8H2
InChIKey DGAJTTIRRZZDGA-UHFFFAOYSA-N
Molecular Weight 534.350 g/mol
SMILES C(C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)CCCCCCCC(OC1=C(C(=C(C(=C1F)F)F)F)F)=O