3-三氟甲基-4'-甲氧基二苯基胺(1494-26-4)核磁圖(¹³CNMR)

產(chǎn)品名稱:3-三氟甲基-4'-甲氧基二苯基胺

CAS:1494-26-4

分子式:C14H12F3NO

分子量: 267.25

InChI:InChI=1S/C14H12F3NO/c1-19-13-7-5-11(6-8-13)18-12-4-2-3-10(9-12)14(15,16)17/h2-9,18H,1H3

InChIKey: VODIERGLAGAWQU-UHFFFAOYSA-N

Smiles:C1(NC2=CC=C(OC)C=C2)=CC=CC(C(F)(F)F)=C1

Mass

MS-IW-2183          
4'-methoxy-3-(trifluoromethyl)diphenylamine
C14H12F3NO          (Mass of molecular ion:    267)

   Source Temperature: 230 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      18.0       3.6
      27.0       1.6
      28.0       2.1
      29.0       1.2
      39.0       2.9
      41.0       4.2
      42.0       2.5
      43.0       1.2
      50.0       1.7
      51.0       2.2
      52.0       2.4
      53.0       2.1
      55.0       6.4
      56.0       2.6
      57.0       1.2
      63.0       2.8
      64.0       2.0
      65.0       1.3
      69.0       2.5
      70.0       1.9
      75.0       1.9
      76.0       1.0
      77.0       1.7
      82.0       1.3
      83.0       8.8
      89.5       1.0
      95.0       2.1
      98.0       4.0
     123.5       1.7
     125.0       1.1
     126.0       1.0
     127.0       1.1
     128.0       2.0
     133.5       1.4
     145.0       4.1
     154.0       7.6
     155.0       7.1
     167.0       1.7
     171.0       1.0
     177.0       2.5
     182.0       1.3
     184.0       1.3
     185.0       1.3
     196.0       1.5
     197.0       2.4
     198.0       1.9
     203.0       1.4
     204.0       2.6
     222.0       2.6
     223.0       1.8
     224.0       2.1
     235.0       2.3
     248.0       4.2
     251.0       1.2
     252.0     100.0
     253.0      14.7
     254.0       1.4
     267.0      75.6
     268.0      11.8
     269.0       1.0
     271.0       1.9
     341.0       1.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₁₂ F₃ N O	0.036 g : 0.5 ml CDCl₃
4'-methoxy-3-(trifluoromethyl)diphenylamine

    Assign.     Shift(ppm)

      A             7.265
      B             7.08
      C             7.06
      D     *1      7.026
      E     *1      6.986
      F             6.892
      G             5.61
      J             3.804

     Hz     ppm     Int.

   2911.74   7.286     36
   2904.05   7.267     79
   2895.87   7.247     50
   2834.96   7.094    170
   2832.76   7.089     59
   2828.37   7.078     70
   2826.05   7.072    252
   2823.73   7.066    110
   2823.24   7.065    108
   2812.01   7.037     64
   2811.40   7.035     65
   2804.32   7.017     54
   2803.71   7.016     55
   2797.36   7.000     54
   2795.53   6.995     47
   2795.17   6.995     47
   2789.18   6.980     47
   2787.35   6.975     41
   2786.87   6.974     41
   2758.42   6.903    273
   2756.10   6.897     73
   2751.71   6.886     70
   2749.51   6.880    207
   1520.51   3.805   1000

in CDCl3