402-44-8

4-氟三氟甲苯(402-44-8)核磁图(¹³CNMR)

产品名称:4-氟三氟甲苯

CAS:402-44-8

分子式:C7H4F4

分子量: 164.1

InChI:InChI=1S/C7H4F4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H

InChIKey: UNNNAIWPDLRVRN-UHFFFAOYSA-N

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

Mass

MS-IW-8157          
alpha,alpha,alpha,4-tetrafluorotoluene
C7H4F4              (Mass of molecular ion:    164)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      31.0       1.8
      37.0       1.1
      38.0       1.1
      50.0       5.3
      51.0       2.4
      57.0       2.6
      61.0       1.2
      62.0       1.9
      63.0       3.4
      68.0       2.7
      69.0       5.7
      72.5       2.7
      73.0       1.1
      74.0       4.2
      75.0      13.8
      76.0       1.1
      81.0       1.0
      82.0       1.6
      88.0       1.8
      93.0       2.4
      94.0       3.5
      95.0      13.5
      99.0       1.9
     113.0       2.9
     114.0      50.8
     115.0       3.4
     123.0       1.0
     125.0       3.7
     143.0       3.8
     144.0       3.1
     145.0      86.4
     146.0       6.6
     163.0      25.9
     164.0     100.0
     165.0       7.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₄ F₄	0.05 ml : 0.5 ml CDCl₃
alpha,alpha,alpha,4-tetrafluorotoluene

    Assign.     Shift(ppm)

      A             7.610
      B             7.140

     Hz     ppm     Int.

   3052.00   7.637     86
   3051.27   7.635    100
   3049.07   7.630    501
   3048.46   7.628    553
   3047.00   7.625    306
   3046.26   7.623    264
   3044.07   7.617    532
   3043.33   7.615    592
   3040.04   7.607    631
   3039.31   7.605    575
   3037.23   7.600    282
   3036.38   7.598    317
   3034.91   7.594    587
   3034.30   7.593    551
   3032.23   7.588    113
   3031.49   7.586     97
   2865.23   7.170     91
   2864.50   7.168    105
   2862.43   7.163    520
   2861.69   7.161    563
   2859.50   7.156    198
   2853.27   7.140   1000
   2847.17   7.125    196
   2844.97   7.119    522
   2844.24   7.117    487
   2842.16   7.112    103
   2841.43   7.110     86

in CDCl3