777-37-7

2-Chloro-5-nitrobenzotrifluoride(777-37-7) ¹H NMR

Product Name2-Chloro-5-nitrobenzotrifluoride

CAS 777-37-7

Molecular FormulaC7H3ClF3NO2

Molecular Weight225.55

InChIInChI=1S/C7H3ClF3NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H

InChIKey HQROXDLWVGFPDE-UHFFFAOYSA-N

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

Request For Quotation

¹HNMR

Raman

parameter in acetone

2-Chloro-5-nitrobenzotrifluoride(777-37-7) <sup>1</sup>H NMR

¹H NMR	300 MHz
C₇ H₃ Cl F₃ N O₂	10 mol% in acetone
2-chloro-5-nitrobenzylidyne trifluoride

    Parameter     ppm  Hz

      D(A)         8.565
      D(B)         8.502
      D(C)         7.969
      D(X)       -63.05
       J(A,B)          2.83
       J(A,C)          0.21
       J(A,X)         -0.55
       J(B,C)          9.63
       J(B,X)         -0.54
       J(C,X)          0.74
     
     COX,R.H. J.MOL.SPECTROSC. 33, 172 (1970)
     F-19 REFERENCE : CFCL3

     Hz     ppm     Int.

   2571.14   8.570    834
   2568.27   8.561   1000
   2557.20   8.524    409
   2556.64   8.522    432
   2554.40   8.515    396
   2553.87   8.513    351
   2547.46   8.492    524
   2547.05   8.490    528
   2544.65   8.482    425
   2544.23   8.481    420
   2395.68   7.986    764
   2395.09   7.984    804
   2386.06   7.954    651
   2385.36   7.951    683