Back ChemicalBook Home>CAS DataBase List>25889-38-7More Spectrum> 4-chloro-2-nitro-1-(trifluoromethyl)benzene(25889-38-7) 1H NMR
4-chloro-2-nitro-1-(trifluoromethyl)benzene(25889-38-7) 1H NMR
Product Name4-chloro-2-nitro-1-(trifluoromethyl)benzene
CAS25889-38-7
Molecular FormulaC7H3ClF3NO2
Molecular Weight225.55
InChIInChI=1S/C7H3ClF3NO2/c8-4-1-2-5(7(9,10)11)6(3-4)12(13)14/h1-3H
InChIKey DDNRGAUZMIFKQS-UHFFFAOYSA-N
SmilesC1(C(F)(F)F)=CC=C(Cl)C=C1[N+]([O-])=O
parameter in acetone
-
1H NMR 300 MHz C7 H3 Cl F3 N O2 10 mol% in acetone 4-chloro-2-nitrobenzylidyne trifluoride 
Parameter ppm Hz
D(A) 7.992 D(B) 7.959 D(C) 8.116 D(X) -60.04 J(A,B) 2.12 J(A,C) 1.96 J(A,X) 0.61 J(B,C) 7.33 J(B,X) 0.50 J(C,X) -0.65 COX,R.H. J.MOL.SPECTROSC. 33, 172 (1970) F-19 REFERENCE : CFCL3
Hz ppm Int.2440.00 8.133 413 2439.43 8.131 437 2438.80 8.129 380 2438.17 8.127 433 2437.45 8.125 395 2432.21 8.107 588 2431.51 8.105 499 2430.78 8.103 617 2430.20 8.101 587 2399.30 7.998 569 2397.94 7.993 1000 2397.40 7.991 920 2395.91 7.986 628 2395.36 7.985 579 2392.11 7.974 789 2389.84 7.966 647 2384.60 7.949 546 2382.81 7.943 406