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3,4-di(Pentafluoropropionyloxy)hydrocinnamic acid

View entire compound with spectra: 1 NMR

3,4-di(Pentafluoropropionyloxy)hydrocinnamic acid
SpectraBase Compound ID 6MWZx5o2qtv
InChI InChI=1S/C15H8F10O6/c16-12(17,14(20,21)22)10(28)30-7-3-1-6(2-4-9(26)27)5-8(7)31-11(29)13(18,19)15(23,24)25/h1,3,5H,2,4H2,(H,26,27)
InChIKey YQPCTSVXJQRZSN-UHFFFAOYSA-N
Mol Weight 474.21 g/mol
Molecular Formula C15H8F10O6
Exact Mass 474.01612 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L5xnwh9xBSJ
Name 3,4-di(Pentafluoropropionyloxy)hydrocinnamic acid
Comments Computed using HOSE algorithm
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Exact Mass 474.016119602 u
Formula C15H8F10O6
InChI InChI=1S/C15H8F10O6/c16-12(17,14(20,21)22)10(28)30-7-3-1-6(2-4-9(26)27)5-8(7)31-11(29)13(18,19)15(23,24)25/h1,3,5H,2,4H2,(H,26,27)
InChIKey YQPCTSVXJQRZSN-UHFFFAOYSA-N
Molecular Weight 474.207 g/mol
SMILES C1(=C(C=CC(=C1)CCC(=O)O)OC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O