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Terephthalic acid, dodecyl 2,2,3,4,4,4-hexafluorobutyl ester
SpectraBase Compound ID H4Kq53aqf5O
InChI InChI=1S/C24H32F6O4/c1-2-3-4-5-6-7-8-9-10-11-16-33-20(31)18-12-14-19(15-13-18)21(32)34-17-23(26,27)22(25)24(28,29)30/h12-15,22H,2-11,16-17H2,1H3/t22-/m0/s1
InChIKey PWOLXEJVGFVYJK-QFIPXVFZSA-N
Mol Weight 498.5 g/mol
Molecular Formula C24H32F6O4
Exact Mass 498.220478 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9dOGRvGvf2D
Name Terephthalic acid, dodecyl 2,2,3,4,4,4-hexafluorobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 498.220478484 u
Formula C24H32F6O4
InChI InChI=1S/C24H32F6O4/c1-2-3-4-5-6-7-8-9-10-11-16-33-20(31)18-12-14-19(15-13-18)21(32)34-17-23(26,27)22(25)24(28,29)30/h12-15,22H,2-11,16-17H2,1H3/t22-/m0/s1
InChIKey PWOLXEJVGFVYJK-QFIPXVFZSA-N
Molecular Weight 498.506 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCCCCCCC)=O)C(OCC([C@@](C(F)(F)F)(F)[H])(F)F)=O