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

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Glutaric acid, 2,2,3,3,4,4,4-heptafluorobutyl hexadecyl ester
SpectraBase Compound ID 9duX6fMMveQ
InChI InChI=1S/C25H41F7O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-35-21(33)17-16-18-22(34)36-20-23(26,27)24(28,29)25(30,31)32/h2-20H2,1H3
InChIKey RFVVUHJYXOSGHK-UHFFFAOYSA-N
Mol Weight 538.6 g/mol
Molecular Formula C25H41F7O4
Exact Mass 538.289307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4uxz4Rhj1Ph
Name Glutaric acid, 2,2,3,3,4,4,4-heptafluorobutyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 538.289306937 u
Formula C25H41F7O4
InChI InChI=1S/C25H41F7O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-35-21(33)17-16-18-22(34)36-20-23(26,27)24(28,29)25(30,31)32/h2-20H2,1H3
InChIKey RFVVUHJYXOSGHK-UHFFFAOYSA-N
Molecular Weight 538.588 g/mol
SMILES C(OCC(C(C(F)(F)F)(F)F)(F)F)(=O)CCCC(OCCCCCCCCCCCCCCCC)=O