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2-Pentafluoropropionyloxy-3-methoxybenzoic acid, pentafluoropropionic acid anhydride
SpectraBase Compound ID CUxw3yQvce0
InChI InChI=1S/C14H6F10O6/c1-28-6-4-2-3-5(7(6)29-9(26)11(15,16)13(19,20)21)8(25)30-10(27)12(17,18)14(22,23)24/h2-4H,1H3
InChIKey BFFQRDWFQGAWDI-UHFFFAOYSA-N
Mol Weight 460.18 g/mol
Molecular Formula C14H6F10O6
Exact Mass 460.00047 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IJkS1ZwljmE
Name 2-Pentafluoropropionyloxy-3-methoxybenzoic acid, pentafluoropropionic acid anhydride
Comments Computed using HOSE algorithm
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Exact Mass 460.000469537 u
Formula C14H6F10O6
InChI InChI=1S/C14H6F10O6/c1-28-6-4-2-3-5(7(6)29-9(26)11(15,16)13(19,20)21)8(25)30-10(27)12(17,18)14(22,23)24/h2-4H,1H3
InChIKey BFFQRDWFQGAWDI-UHFFFAOYSA-N
Molecular Weight 460.180 g/mol
SMILES C1=CC(C(OC(C(C(F)(F)F)(F)F)=O)=O)=C(C(=C1)OC)OC(C(C(F)(F)F)(F)F)=O