402-43-7

對(duì)溴三氟甲苯(402-43-7)紅外圖譜(IR1)

產(chǎn)品名稱:對(duì)溴三氟甲苯

CAS:402-43-7

分子式:C7H4BrF3

分子量: 225.01

InChI:InChI=1S/C7H4BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H

InChIKey: XLQSXGGDTHANLN-UHFFFAOYSA-N

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

Mass

MS-NW-7406          
p-bromo-alpha,alpha,alpha-trifluorotoluene
C7H4BrF3            (Mass of molecular ion:    224)

   Source Temperature: 210 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      28.0       1.4
      31.0       1.6
      37.0       2.7
      38.0       3.6
      39.0       1.2
      49.0       2.4
      50.0      17.1
      51.0       4.3
      57.0       2.9
      61.0       1.3
      62.0       2.9
      63.0       5.1
      68.0       1.1
      69.0       5.1
      72.0       1.0
      72.5       1.7
      73.0       3.1
      74.0      11.1
      75.0      19.8
      76.0       7.5
      81.0       1.3
      87.0       1.1
      88.0       1.2
      93.0       1.3
      94.0       2.9
      95.0      16.1
      96.0       1.2
      99.0       3.2
     102.0       2.2
     102.5       1.8
     103.0       2.4
     103.5       1.7
     107.0       1.0
     112.0       1.1
     113.0       1.0
     119.0       2.0
     125.0      10.4
     126.0       7.5
     143.0       2.2
     144.0       3.8
     145.0     100.0
     146.0       8.2
     155.0       1.0
     174.0       4.3
     176.0       4.1
     205.0      13.8
     206.0       1.2
     207.0      13.8
     208.0       1.1
     223.0       1.0
     224.0      90.0
     225.0       8.3
     226.0      88.4
     227.0       7.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₄ Br F₃	0.05 ml : 0.5 ml CDCl₃
p-bromo-alpha,alpha,alpha-trifluorotoluene

    Assign.     Shift(ppm)

      A             7.588
      B             7.462

     Hz     ppm     Int.

   3045.78   7.622     36
   3045.29   7.620     36
   3043.82   7.617     32
   3040.65   7.609    110
   3038.33   7.603    590
   3037.60   7.601    741
   3031.62   7.586    282
   3029.54   7.581    931
   3028.81   7.579    967
   3021.97   7.562     48
   2994.02   7.492     49
   2993.65   7.491     49
   2992.68   7.489     44
   2988.77   7.479    170
   2986.57   7.473    835
   2985.84   7.472   1000
   2983.76   7.466    400
   2979.74   7.456    262
   2977.78   7.451    771
   2977.05   7.450    779
   2970.09   7.432     42

in CDCl3