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Isophthalic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester

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Isophthalic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester
SpectraBase Compound ID DEZwqXlh2Jc
InChI InChI=1S/C18H10F16O4/c19-11(20)15(27,28)17(31,32)13(23,24)5-37-9(35)7-2-1-3-8(4-7)10(36)38-6-14(25,26)18(33,34)16(29,30)12(21)22/h1-4,11-12H,5-6H2
InChIKey NYOUDFDPEYLGEO-UHFFFAOYSA-N
Mol Weight 594.25 g/mol
Molecular Formula C18H10F16O4
Exact Mass 594.032359 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5d0ZQeGUlBY
Name Isophthalic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 594.032359406 u
Formula C18H10F16O4
InChI InChI=1S/C18H10F16O4/c19-11(20)15(27,28)17(31,32)13(23,24)5-37-9(35)7-2-1-3-8(4-7)10(36)38-6-14(25,26)18(33,34)16(29,30)12(21)22/h1-4,11-12H,5-6H2
InChIKey NYOUDFDPEYLGEO-UHFFFAOYSA-N
Molecular Weight 594.248 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O