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Phthalic acid, dodecyl 2,2,3,3,4,4,4-heptafluorobutyl ester

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Phthalic acid, dodecyl 2,2,3,3,4,4,4-heptafluorobutyl ester
SpectraBase Compound ID J4siABc65rX
InChI InChI=1S/C24H31F7O4/c1-2-3-4-5-6-7-8-9-10-13-16-34-20(32)18-14-11-12-15-19(18)21(33)35-17-22(25,26)23(27,28)24(29,30)31/h11-12,14-15H,2-10,13,16-17H2,1H3
InChIKey ZYKGVAASIBASMZ-UHFFFAOYSA-N
Mol Weight 516.5 g/mol
Molecular Formula C24H31F7O4
Exact Mass 516.211057 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ExDW6jVzHmB
Name Phthalic acid, dodecyl 2,2,3,3,4,4,4-heptafluorobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 516.211056615 u
Formula C24H31F7O4
InChI InChI=1S/C24H31F7O4/c1-2-3-4-5-6-7-8-9-10-13-16-34-20(32)18-14-11-12-15-19(18)21(33)35-17-22(25,26)23(27,28)24(29,30)31/h11-12,14-15H,2-10,13,16-17H2,1H3
InChIKey ZYKGVAASIBASMZ-UHFFFAOYSA-N
Molecular Weight 516.497 g/mol
SMILES C1=CC(=C(C=C1)C(OCCCCCCCCCCCC)=O)C(OCC(C(C(F)(F)F)(F)F)(F)F)=O