1-Chloro-2-(dichloromethyl)-3-fluoro-4-nitrobenzene(33429-68-4) ¹H NMR

Product Name1-Chloro-2-(dichloromethyl)-3-fluoro-4-nitrobenzene

CAS 33429-68-4

Molecular Formula

Molecular Weight

InChIInChI=1S/C7H3Cl3FNO2/c8-3-1-2-4(12(13)14)6(11)5(3)7(9)10/h1-2,7H

InChIKey BFLQMKLVEVJJNZ-UHFFFAOYSA-N

SmilesC1(Cl)=CC=C([N+]([O-])=O)C(F)=C1C(Cl)Cl

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¹HNMR

parameter toluene-d8

¹H NMR	300 MHz
C₇ H₃ Cl₃ F N O₂	30 mol% in toluene-d₈
alpha,alpha,6-trichloro-2-fluoro-3-nitrotoluene

    Parameter     ppm  Hz

      D(A)         6.752
      D(B)         7.456
      D(C)         7.037
       J(A,B)          8.98
       J(A,C)          0.00
       J(A,X)         -1.83
       J(B,C)          0.00
       J(B,X)          7.77
       J(C,X)         -2.48
     
     HUTTON,H.M. ET AL. CAN.J.CHEM. 49, 2033 (1971)

     Hz     ppm     Int.

   2245.27   7.484    471
   2237.44   7.458    521
   2236.30   7.454    557
   2228.47   7.428    494
   2112.34   7.041    970
   2109.87   7.033   1000
   2030.96   6.770    511
   2029.09   6.764    531
   2021.98   6.740    490
   2020.11   6.734    489

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1-Chloro-2-(dichloromethyl)-3-fluoro-4-nitrobenzene(33429-68-4) 1H NMR

1-Chloro-2-(dichloromethyl)-3-fluoro-4-nitrobenzene(33429-68-4) ¹H NMR