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Pentafluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester

View entire compound with spectra: 1 NMR

Pentafluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID 6abrE4PdHCQ
InChI InChI=1S/C12H3F13O2/c13-3-2(4(14)6(16)7(17)5(3)15)8(26)27-1-10(20,21)12(24,25)11(22,23)9(18)19/h9H,1H2
InChIKey UIAOMAFZCXDVJQ-UHFFFAOYSA-N
Mol Weight 426.13 g/mol
Molecular Formula C12H3F13O2
Exact Mass 425.992545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FBXug721yxY
Name Pentafluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 425.992545454 u
Formula C12H3F13O2
InChI InChI=1S/C12H3F13O2/c13-3-2(4(14)6(16)7(17)5(3)15)8(26)27-1-10(20,21)12(24,25)11(22,23)9(18)19/h9H,1H2
InChIKey UIAOMAFZCXDVJQ-UHFFFAOYSA-N
Molecular Weight 426.133 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)F)F)C(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)F