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1,1,3,3-tetrafluoroacetone (360-52-1) 1H NMR
Product Name1,1,3,3-tetrafluoroacetone
CAS360-52-1
Molecular FormulaC3H2F4O
Molecular Weight130.04
InChIInChI=1S/C3H2F4O/c4-2(5)1(8)3(6)7/h2-3H
InChIKey QAPXLUZMMFIIBI-UHFFFAOYSA-N
SmilesC(F)(F)C(=O)C(F)F
-
Parameter ppm Hz
D(A) 6.224 D(X) -130.0 J(A,A') -0.19 J(A,X) 52.10 J(A,X') 52.10 J(A,X'') 0.72 J(A,X''') 0.72 J(A',X) 0.72 J(A',X') 0.72 J(A',X'') 52.10 J(A',X''') 52.10 J(X,X') 0.00 J(X,X'') 8.14 J(X,X''') 3.08 J(X',X'') 3.08 J(X',X''') 8.14 J(X'',X''') 0.00 SHAPIRO,B.L. ET AL. J.MAGN.RESON. 11, 355 (1973) F-19 REFERENCE:CFCL3.Spectral Code: 1H NMR : parameter neat