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1,3-DIFLUOROACETONE(453-14-5) 1H NMR
Product Name1,3-DIFLUOROACETONE
CAS453-14-5
Molecular FormulaC3H4F2O
Molecular Weight94.06
InChIInChI=1S/C3H4F2O/c4-1-3(6)2-5/h1-2H2
InChIKey HKIPCXRNASWFRU-UHFFFAOYSA-N
SmilesC(F)C(=O)CF
-
Parameter ppm Hz
D(A) 5.170 D(X) -238.5 J(A,A') 0.00 J(A,A'') -0.45 J(A,A''') 0.1 J(A,X) 46.36 J(A,X') 1.16 J(A',A'') 0.1 J(A',A''') -0.45 J(A',X) 46.36 J(A',X') 1.16 J(A'',A''') 0.00 J(A'',X) 1.16 J(A'',X') 46.36 J(A''',X) 1.16 J(A''',X') 46.36 J(X,X') 5.03 SHAPIRO,B.L. ET AL. J.MAGN.RESON. 11, 355 (1973) J(A,A''') & J(A',A'') ARE ABSOLUTE VALUE AND LESS THAN 0.1HZ. F-19 REFERENCE:CFCL3.Spectral Code: 1H NMR : parameter neat
