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Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl undecyl ester

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Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl undecyl ester
SpectraBase Compound ID JDSekJ3mwL1
InChI InChI=1S/C24H30F8O4/c1-2-3-4-5-6-7-8-9-10-14-35-19(33)17-12-11-13-18(15-17)20(34)36-16-22(27,28)24(31,32)23(29,30)21(25)26/h11-13,15,21H,2-10,14,16H2,1H3
InChIKey BNTLORXXZITVCW-UHFFFAOYSA-N
Mol Weight 534.49 g/mol
Molecular Formula C24H30F8O4
Exact Mass 534.201635 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1T5q8Cb9UGl
Name Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 534.201634746 u
Formula C24H30F8O4
InChI InChI=1S/C24H30F8O4/c1-2-3-4-5-6-7-8-9-10-14-35-19(33)17-12-11-13-18(15-17)20(34)36-16-22(27,28)24(31,32)23(29,30)21(25)26/h11-13,15,21H,2-10,14,16H2,1H3
InChIKey BNTLORXXZITVCW-UHFFFAOYSA-N
Molecular Weight 534.487 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCCCCCCCCCCC)C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O