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

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Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentadecyl ester
SpectraBase Compound ID JgRw17VdzV9
InChI InChI=1S/C28H38F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-39-23(37)21-16-15-17-22(19-21)24(38)40-20-26(31,32)28(35,36)27(33,34)25(29)30/h15-17,19,25H,2-14,18,20H2,1H3
InChIKey JADKPCRIFLKOAJ-UHFFFAOYSA-N
Mol Weight 590.6 g/mol
Molecular Formula C28H38F8O4
Exact Mass 590.264235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 96RZkgX2Thg
Name Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 590.264235004 u
Formula C28H38F8O4
InChI InChI=1S/C28H38F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-39-23(37)21-16-15-17-22(19-21)24(38)40-20-26(31,32)28(35,36)27(33,34)25(29)30/h15-17,19,25H,2-14,18,20H2,1H3
InChIKey JADKPCRIFLKOAJ-UHFFFAOYSA-N
Molecular Weight 590.595 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCCCCCCCCCCCCCCC)C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O