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Sinapic acid, o-trifluoroacetyl-, 2,2,3,3-tetrafluoro-1-propyl ester

View entire compound with spectra: 1 NMR

Sinapic acid, o-trifluoroacetyl-, 2,2,3,3-tetrafluoro-1-propyl ester
SpectraBase Compound ID Aag78tZ3AH3
InChI InChI=1S/C16H13F7O6/c1-26-9-5-8(3-4-11(24)28-7-15(19,20)13(17)18)6-10(27-2)12(9)29-14(25)16(21,22)23/h3-6,13H,7H2,1-2H3/b4-3+
InChIKey KRLXFKOOLACADO-ONEGZZNKSA-N
Mol Weight 434.26 g/mol
Molecular Formula C16H13F7O6
Exact Mass 434.060035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IHZkwkrmsmo
Name Sinapic acid, o-trifluoroacetyl-, 2,2,3,3-tetrafluoro-1-propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 434.060035274 u
Formula C16H13F7O6
InChI InChI=1S/C16H13F7O6/c1-26-9-5-8(3-4-11(24)28-7-15(19,20)13(17)18)6-10(27-2)12(9)29-14(25)16(21,22)23/h3-6,13H,7H2,1-2H3/b4-3+
InChIKey KRLXFKOOLACADO-ONEGZZNKSA-N
Molecular Weight 434.263 g/mol
SMILES C1(=C(C(=CC(=C1)\C=C\C(=O)OCC(C(F)F)(F)F)OC)OC(C(F)(F)F)=O)OC