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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl neopentyl ester

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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl neopentyl ester
SpectraBase Compound ID 7ROhwuW3858
InChI InChI=1S/C15H20F8O4/c1-12(2,3)7-26-9(24)5-4-6-10(25)27-8-13(18,19)15(22,23)14(20,21)11(16)17/h11H,4-8H2,1-3H3
InChIKey YXAXICLINGOTIC-UHFFFAOYSA-N
Mol Weight 416.31 g/mol
Molecular Formula C15H20F8O4
Exact Mass 416.123384 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 386km5q1sUF
Name Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl neopentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 416.123384424 u
Formula C15H20F8O4
InChI InChI=1S/C15H20F8O4/c1-12(2,3)7-26-9(24)5-4-6-10(25)27-8-13(18,19)15(22,23)14(20,21)11(16)17/h11H,4-8H2,1-3H3
InChIKey YXAXICLINGOTIC-UHFFFAOYSA-N
Molecular Weight 416.308 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OCC(C)(C)C)=O