4-Bromo-3-nitrobenzotrifluoride(349-03-1)IR
Product Name4-Bromo-3-nitrobenzotrifluoride
CAS349-03-1
Molecular FormulaC7H3BrF3NO2
Molecular Weight270
InChIInChI=1S/C7H3BrF3NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H
InChIKey PESPBNYBZVIGRO-UHFFFAOYSA-N
SmilesC1(Br)=CC=C(C(F)(F)F)C=C1[N+]([O-])=O
parameter in acetone
-
1H NMR 300 MHz C7 H3 Br F3 N O2 10 mol% in acetone 4-bromo-3-nitrobenzylidyne trifluoride 
Parameter ppm Hz
D(A) 8.293 D(B) 7.929 D(C) 8.129 D(X) -62.88 J(A,B) 2.13 J(A,C) 0.43 J(A,X) -0.58 J(B,C) 8.45 J(B,X) -0.68 J(C,X) 0.83 COX,R.H. J.MOL.SPECTROSC. 33, 172 (1970) F-19 REFERENCE : CFCL3
Hz ppm Int.2488.96 8.297 976 2486.87 8.290 1000 2443.12 8.144 621 2434.64 8.115 815 2383.99 7.947 523 2383.36 7.945 556 2382.63 7.942 459 2381.90 7.940 551 2381.27 7.938 516 2375.52 7.918 404 2374.91 7.916 426 2374.18 7.914 344 2373.43 7.911 412 2372.82 7.909 390
