118-83-2

5-氯-2-硝基三氟甲苯(118-83-2)Raman光譜

產品名稱:5-氯-2-硝基三氟甲苯

CAS:118-83-2

分子式:C7H3ClF3NO2

分子量: 225.55

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

InChIKey: CFPIGEXZPWTNOR-UHFFFAOYSA-N

Smiles:C1([N+]([O-])=O)=CC=C(Cl)C=C1C(F)(F)F

Mass

MS-NW-9893          
5-chloro-alpha,alpha,alpha-trifluoro-2-nitrotoluene
C7H3ClF3NO2         (Mass of molecular ion:    225)

   Source Temperature: 250 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       3.5
      30.0      70.5
      31.0       2.6
      36.0       1.3
      37.0       2.7
      38.0       2.6
      46.0       1.8
      49.0       1.6
      50.0       7.4
      51.0       2.7
      57.0       2.4
      61.0       2.8
      62.0       3.6
      63.0       4.7
      67.0       1.0
      68.0       1.9
      69.0      11.8
      73.0       5.4
      74.0      17.4
      75.0      25.7
      76.0       5.6
      80.0       1.0
      81.0       2.4
      84.0       1.8
      85.0       3.4
      86.0       1.1
      87.0       1.9
      88.0       1.3
      91.0       3.3
      92.0       1.4
      93.0       7.7
      94.0       7.2
      95.0       1.9
      97.0       1.1
      99.0       6.8
     109.0       6.7
     110.0       2.8
     111.0       2.7
     112.0       3.1
     113.0       1.3
     117.0       3.6
     118.0       1.4
     119.0       3.9
     123.0       2.2
     124.0       1.2
     125.0      11.8
     126.0       1.2
     129.0      13.7
     130.0       1.1
     131.0       7.0
     132.0      31.4
     133.0       2.4
     143.0      20.1
     144.0      41.3
     145.0       3.4
     147.0       6.4
     148.0       1.6
     149.0       2.2
     153.0       1.0
     159.0       6.7
     160.0       1.6
     161.0       2.3
     167.0      33.2
     168.0       2.3
     169.0      10.7
     179.0     100.0
     180.0       8.2
     181.0      32.2
     182.0       2.6
     195.0      53.9
     196.0       4.3
     197.0      17.6
     198.0       1.3
     206.0       4.2
     208.0       1.4
     209.0       3.5
     211.0       1.1
     225.0      69.4
     226.0       5.7
     227.0      22.4
     228.0       1.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₃ Cl F₃ N O₂	0.05 ml : 0.5 ml CDCl₃
5-chloro-alpha,alpha,alpha-trifluoro-2-nitrotoluene

    Assign.     Shift(ppm)

      A             7.915
      B             7.828
      C             7.740

     Hz     ppm     Int.

   3175.78   7.947     29
   3167.60   7.926    715
   3158.94   7.905    890
   3145.51   7.871     26
   3129.64   7.831    896
   3127.44   7.826   1000
   3118.41   7.803     24
   3116.09   7.798     27
   3114.50   7.794     26
   3107.67   7.776     23
   3098.27   7.753    648
   3097.90   7.752    682
   3096.07   7.747    599
   3095.70   7.747    605
   3089.72   7.732    513
   3089.23   7.730    545
   3087.40   7.726    486
   3087.04   7.725    494
   3082.76   7.714     28
   3080.08   7.707     21

in CDCl3