1489-53-8

1,2,3-三氟苯(1489-53-8)核磁图(¹HNMR)

产品名称:1,2,3-三氟苯

CAS:1489-53-8

分子式:C6H3F3

分子量: 132.08

InChI:InChI=1S/C6H3F3/c7-4-2-1-3-5(8)6(4)9/h1-3H

InChIKey: AJKNNUJQFALRIK-UHFFFAOYSA-N

Smiles:C1(F)=CC=CC(F)=C1F

¹HNMR

Raman

parameter in CCl4

¹H NMR	300 MHz
C₆ H₃ F₃	15 vol% in CCl₄
1,2,3-trifluorobenzene

    Parameter     ppm  Hz

      D(A)         7.022
      D(B)         6.931
      D(X)       -22.358
      D(Y)        16.369
       J(A,A')         1.62
       J(A,B)          8.78
       J(A,X)          9.95
       J(A,X')        -2.07
       J(A,Y)          6.87
       J(A',B)         8.78
       J(A',X)        -2.07
       J(A',X')        9.95
       J(A',Y)         6.87
       J(B,X)          5.70
       J(B,X')         5.70
       J(B,Y)         -2.51
       J(X,X')         6.4
       J(X,Y)        -19.90
       J(X',Y)       -19.90
     
     ABRAHAM,R.J. & COOPER,M.A. J.CHEM.SOC. B 1968, 1094
     ABRAHAM,R.J. & MACDONALD,D.B. J.CHEM.SOC. B 1967, 836
     F-19 REFERENCE : C6F3CL3

     Hz     ppm     Int.

   2125.27   7.084     48
   2124.14   7.080     64
   2119.71   7.066    219
   2117.96   7.060    347
   2116.86   7.056    173
   2114.73   7.049    102
   2111.90   7.040    583
   2110.60   7.035   1000
   2110.01   7.033    894
   2103.17   7.011    788
   2101.85   7.006    730
   2098.35   6.994    108
   2096.07   6.987    520
   2094.45   6.981    529
   2091.11   6.970    219
   2089.37   6.965    298
   2087.95   6.960    118
   2086.42   6.955    434
   2083.72   6.946    159
   2082.75   6.942    204
   2080.55   6.935    630
   2078.08   6.927    303
   2077.44   6.925    373
   2075.67   6.919    107
   2074.79   6.916    104
   2073.84   6.913    119
   2072.68   6.909    214
   2071.80   6.906    309
   2070.55   6.902    135
   2068.73   6.896    186
   2064.79   6.883     61
   2062.58   6.875     70