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Glutaric acid, 2,2,3,3,4,4,4-heptafluorobutyl tridecyl ester

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Glutaric acid, 2,2,3,3,4,4,4-heptafluorobutyl tridecyl ester
SpectraBase Compound ID CXAs0917nB3
InChI InChI=1S/C22H35F7O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-32-18(30)14-13-15-19(31)33-17-20(23,24)21(25,26)22(27,28)29/h2-17H2,1H3
InChIKey WGPUNPSNOQWQMM-UHFFFAOYSA-N
Mol Weight 496.5 g/mol
Molecular Formula C22H35F7O4
Exact Mass 496.242357 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 39Ixkamio7B
Name Glutaric acid, 2,2,3,3,4,4,4-heptafluorobutyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 496.242356744 u
Formula C22H35F7O4
InChI InChI=1S/C22H35F7O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-32-18(30)14-13-15-19(31)33-17-20(23,24)21(25,26)22(27,28)29/h2-17H2,1H3
InChIKey WGPUNPSNOQWQMM-UHFFFAOYSA-N
Molecular Weight 496.507 g/mol
SMILES C(OCC(C(C(F)(F)F)(F)F)(F)F)(=O)CCCC(OCCCCCCCCCCCCC)=O