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Glutaric acid, 3,4-dimethylcyclohexyl 2,2,3,3-tetrafluoropropyl ester
SpectraBase Compound ID 8jPBftCrMK9
InChI InChI=1S/C16H24F4O4/c1-10-6-7-12(8-11(10)2)24-14(22)5-3-4-13(21)23-9-16(19,20)15(17)18/h10-12,15H,3-9H2,1-2H3
InChIKey INGDEJDCLILKCP-UHFFFAOYSA-N
Mol Weight 356.36 g/mol
Molecular Formula C16H24F4O4
Exact Mass 356.161072 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K3IKFZ5e9n9
Name Glutaric acid, 3,4-dimethylcyclohexyl 2,2,3,3-tetrafluoropropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 356.161071901 u
Formula C16H24F4O4
InChI InChI=1S/C16H24F4O4/c1-10-6-7-12(8-11(10)2)24-14(22)5-3-4-13(21)23-9-16(19,20)15(17)18/h10-12,15H,3-9H2,1-2H3
InChIKey INGDEJDCLILKCP-UHFFFAOYSA-N
Molecular Weight 356.358 g/mol
SMILES C(CCC(OCC(C(F)F)(F)F)=O)C(OC1CC(C(C)CC1)C)=O