456-55-3

三氟甲氧基苯(456-55-3)紅外圖譜(IR1)

產(chǎn)品名稱:三氟甲氧基苯

CAS:456-55-3

分子式:C7H5F3O

分子量: 162.11

InChI:InChI=1S/C7H5F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H

InChIKey: GQHWSLKNULCZGI-UHFFFAOYSA-N

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

Mass

MS-IW-8995          
(trifluoromethoxy)benzene
C7H5F3O             (Mass of molecular ion:    162)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      37.0       1.8
      38.0       4.4
      39.0      15.3
      50.0       4.4
      51.0       5.1
      62.0       1.7
      63.0       5.0
      64.0       3.2
      65.0      49.9
      66.0       3.0
      69.0      13.2
      70.0       1.3
      74.0       1.3
      75.0       1.8
      76.0       1.3
      77.0      14.9
      78.0       1.0
      84.0       1.0
      93.0      17.8
      94.0       1.3
      95.0       2.2
      96.0      13.1
     134.0       1.2
     162.0     100.0
     163.0       7.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₅ F₃ O	0.05 ml : 0.5 ml CDCl₃
(trifluoromethoxy)benzene

    Assign.     Shift(ppm)

      A             7.368
      B             7.266
      C             7.203

     Hz     ppm     Int.

   2953.74   7.391    140
   2951.90   7.387    403
   2951.17   7.385    489
   2949.34   7.380    268
   2946.66   7.374    192
   2945.19   7.370    403
   2943.97   7.367   1000
   2943.48   7.366    923
   2942.38   7.363    752
   2940.80   7.359    207
   2937.50   7.351    455
   2935.79   7.346    911
   2933.11   7.340    183
   2911.13   7.285    292
   2909.91   7.282    545
   2908.69   7.279    342
   2904.30   7.268    253
   2902.47   7.263    658
   2900.51   7.258    213
   2898.56   7.253     41
   2896.24   7.247    182
   2895.14   7.245    296
   2893.92   7.242    178
   2883.54   7.216    677
   2882.45   7.213    901
   2881.47   7.210    783
   2877.81   7.201    158
   2875.85   7.196    464
   2874.88   7.194    678
   2873.78   7.191    716
   2872.80   7.189    508

in CDCl3