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Coniferyl alcohol, bis(pentafluoropropionate)

View entire compound with spectra: 1 NMR

Coniferyl alcohol, bis(pentafluoropropionate)
SpectraBase Compound ID BhN9rA0SpDl
InChI InChI=1S/C16H10F10O5/c1-29-10-7-8(3-2-6-30-11(27)13(17,18)15(21,22)23)4-5-9(10)31-12(28)14(19,20)16(24,25)26/h2-5,7H,6H2,1H3/b3-2+
InChIKey UHRCNGVEVAKRPZ-NSCUHMNNSA-N
Mol Weight 472.24 g/mol
Molecular Formula C16H10F10O5
Exact Mass 472.036855 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4XSmDrC62gS
Name Coniferyl alcohol, bis(pentafluoropropionate)
Comments Computed using HOSE algorithm
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Exact Mass 472.036855047 u
Formula C16H10F10O5
InChI InChI=1S/C16H10F10O5/c1-29-10-7-8(3-2-6-30-11(27)13(17,18)15(21,22)23)4-5-9(10)31-12(28)14(19,20)16(24,25)26/h2-5,7H,6H2,1H3/b3-2+
InChIKey UHRCNGVEVAKRPZ-NSCUHMNNSA-N
Molecular Weight 472.235 g/mol
SMILES C1=C(C(=CC=C1\C=C\COC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O)OC