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3-CHLORO-1,1,1-TRIFLUOROPROPANE(460-35-5) 1H NMR
Product Name3-CHLORO-1,1,1-TRIFLUOROPROPANE
CAS460-35-5
Molecular FormulaC3H4ClF3
Molecular Weight132.51
InChIInChI=1S/C3H4ClF3/c4-2-1-3(5,6)7/h1-2H2
InChIKey ZPIFKCVYZBVZIV-UHFFFAOYSA-N
SmilesC(F)(F)(F)CCCl
-
Parameter ppm Hz
D(A) 3.539 D(B) 2.509 J(A,A') -11.4 J(A,B) 9.2 J(A,B') 6.0 J(A,X) -0.15 J(A',B) 6.0 J(A',B') 9.2 J(A',X) -0.15 J(B,B') -14.8 J(B,X) 9.95 J(B',X) 9.95 BODOT,H. ET AL. BULL.SOC.CHIM.FR. 1968, 251 J(B,B'):ASSUMED.Spectral Code: 1H NMR : parameter in CS2
