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3,4-di(Trifluoroacetyloxy)hydrocinnamic acid, trifluoroacetic acid anhydride

View entire compound with spectra: 1 NMR, and 1 FTIR

3,4-di(Trifluoroacetyloxy)hydrocinnamic acid, trifluoroacetic acid anhydride
SpectraBase Compound ID 2pQBq5rax8x
InChI InChI=1S/C15H7F9O7/c16-13(17,18)10(26)29-7-3-1-6(5-8(7)30-11(27)14(19,20)21)2-4-9(25)31-12(28)15(22,23)24/h1,3,5H,2,4H2
InChIKey GGKJBVHYVBEEDL-UHFFFAOYSA-N
Mol Weight 470.2 g/mol
Molecular Formula C15H7F9O7
Exact Mass 470.004806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IFbi1w53orM
Name 3,4-di(Trifluoroacetyloxy)hydrocinnamic acid, trifluoroacetic acid anhydride
Comments Computed using HOSE algorithm
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Exact Mass 470.004806025 u
Formula C15H7F9O7
InChI InChI=1S/C15H7F9O7/c16-13(17,18)10(26)29-7-3-1-6(5-8(7)30-11(27)14(19,20)21)2-4-9(25)31-12(28)15(22,23)24/h1,3,5H,2,4H2
InChIKey GGKJBVHYVBEEDL-UHFFFAOYSA-N
Molecular Weight 470.200 g/mol
SMILES C1(=C(C=CC(=C1)CCC(=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O