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3,4-di(Pentafluoropropioniloxy)hydrocinnamic acid, pentafluoropropionic acid anhydride

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3,4-di(Pentafluoropropioniloxy)hydrocinnamic acid, pentafluoropropionic acid anhydride
SpectraBase Compound ID IquRLOkTRXp
InChI InChI=1S/C18H7F15O7/c19-13(20,16(25,26)27)10(35)38-7-3-1-6(5-8(7)39-11(36)14(21,22)17(28,29)30)2-4-9(34)40-12(37)15(23,24)18(31,32)33/h1,3,5H,2,4H2
InChIKey LFHNRBPKTDMKIA-UHFFFAOYSA-N
Mol Weight 620.22 g/mol
Molecular Formula C18H7F15O7
Exact Mass 619.995225 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fofic2I1UK2
Name 3,4-di(Pentafluoropropioniloxy)hydrocinnamic acid, pentafluoropropionic acid anhydride
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 619.995225003 u
Formula C18H7F15O7
InChI InChI=1S/C18H7F15O7/c19-13(20,16(25,26)27)10(35)38-7-3-1-6(5-8(7)39-11(36)14(21,22)17(28,29)30)2-4-9(34)40-12(37)15(23,24)18(31,32)33/h1,3,5H,2,4H2
InChIKey LFHNRBPKTDMKIA-UHFFFAOYSA-N
Molecular Weight 620.223 g/mol
SMILES C1(=C(C=CC(=C1)CCC(=O)OC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O