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Adipic acid, decyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

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Adipic acid, decyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID JCAGr4Zrhgd
InChI InChI=1S/C21H32F8O4/c1-2-3-4-5-6-7-8-11-14-32-16(30)12-9-10-13-17(31)33-15-19(24,25)21(28,29)20(26,27)18(22)23/h18H,2-15H2,1H3
InChIKey MHLDTAZGCARVKW-UHFFFAOYSA-N
Mol Weight 500.5 g/mol
Molecular Formula C21H32F8O4
Exact Mass 500.217285 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CycwPuT2zox
Name Adipic acid, decyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 500.217284810 u
Formula C21H32F8O4
InChI InChI=1S/C21H32F8O4/c1-2-3-4-5-6-7-8-11-14-32-16(30)12-9-10-13-17(31)33-15-19(24,25)21(28,29)20(26,27)18(22)23/h18H,2-15H2,1H3
InChIKey MHLDTAZGCARVKW-UHFFFAOYSA-N
Molecular Weight 500.470 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)CC(OCCCCCCCCCC)=O