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Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tridecyl ester
SpectraBase Compound ID fOnxZ4dpiT
InChI InChI=1S/C26H34F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-37-21(35)19-14-13-15-20(17-19)22(36)38-18-24(29,30)26(33,34)25(31,32)23(27)28/h13-15,17,23H,2-12,16,18H2,1H3
InChIKey CUHIGUXYNMCZLF-UHFFFAOYSA-N
Mol Weight 562.5 g/mol
Molecular Formula C26H34F8O4
Exact Mass 562.232935 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2OEY1Td1IpP
Name Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 562.232934875 u
Formula C26H34F8O4
InChI InChI=1S/C26H34F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-37-21(35)19-14-13-15-20(17-19)22(36)38-18-24(29,30)26(33,34)25(31,32)23(27)28/h13-15,17,23H,2-12,16,18H2,1H3
InChIKey CUHIGUXYNMCZLF-UHFFFAOYSA-N
Molecular Weight 562.541 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCCCCCCCCCCCCC)C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O