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Trans-1,4-cyclohexanedimethanol, bis(pentafluoropropionate)

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Trans-1,4-cyclohexanedimethanol, bis(pentafluoropropionate)
SpectraBase Compound ID IiyQyttD1lg
InChI InChI=1S/C14H14F10O4/c15-11(16,13(19,20)21)9(25)27-5-7-1-2-8(4-3-7)6-28-10(26)12(17,18)14(22,23)24/h7-8H,1-6H2
InChIKey JDYXBBBNPALAJD-UHFFFAOYSA-N
Mol Weight 436.25 g/mol
Molecular Formula C14H14F10O4
Exact Mass 436.073241 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CSeS6ZC1yPN
Name Trans-1,4-cyclohexanedimethanol, bis(pentafluoropropionate)
Comments Computed using HOSE algorithm
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Exact Mass 436.073240557 u
Formula C14H14F10O4
InChI InChI=1S/C14H14F10O4/c15-11(16,13(19,20)21)9(25)27-5-7-1-2-8(4-3-7)6-28-10(26)12(17,18)14(22,23)24/h7-8H,1-6H2
InChIKey JDYXBBBNPALAJD-UHFFFAOYSA-N
Molecular Weight 436.246 g/mol
SMILES C1(CCC(CC1)COC(=O)C(C(F)(F)F)(F)F)COC(=O)C(C(F)(F)F)(F)F