13630-19-8

邻甲基三氟甲苯(13630-19-8)核磁图(¹³CNMR)

产品名称:邻甲基三氟甲苯

CAS:13630-19-8

分子式:C8H7F3

分子量: 160.14

InChI:InChI=1S/C8H7F3/c1-6-4-2-3-5-7(6)8(9,10)11/h2-5H,1H3

InChIKey: DVFVNJHIVAPTMS-UHFFFAOYSA-N

Smiles:C1(C)=CC=CC=C1C(F)(F)F

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-8360          
alpha,alpha,alpha-trifluoro-o-xylene
C8H7F3              (Mass of molecular ion:    160)

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

      27.0       1.0
      38.0       1.5
      39.0       5.2
      50.0       2.7
      51.0       3.7
      57.0       2.0
      61.0       1.0
      62.0       2.6
      63.0       6.0
      64.0       1.2
      65.0       6.2
      69.0       2.2
      70.0       3.8
      75.0       3.0
      77.0       1.0
      81.0       1.0
      83.0       2.5
      87.0       1.1
      88.0       1.3
      89.0       4.6
      90.0       2.1
      91.0     100.0
      92.0       8.3
      95.0       1.6
      99.0       1.8
     101.0       1.8
     107.0       1.7
     109.0      11.7
     110.0       1.2
     113.0       1.1
     114.0       2.6
     119.0       5.2
     120.0       1.6
     127.0       1.3
     138.0       2.6
     139.0       3.4
     140.0      13.4
     141.0       9.3
     145.0       2.0
     158.0       2.0
     159.0      15.8
     160.0      65.5
     161.0       5.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₇ F₃	0.05 ml : 0.5 ml CDCl₃
alpha,alpha,alpha-trifluoro-o-xylene

    Assign.     Shift(ppm)

      A             7.593
      B             7.396
      C             7.26
      D             7.25
      E             2.477

     Hz     ppm     Int.

   3038.09   7.602    230
   3030.40   7.583    243
   2964.84   7.419     97
   2964.48   7.418     96
   2956.91   7.399    234
   2949.83   7.382    164
   2906.49   7.273    401
   2905.76   7.271    397
   2898.68   7.254    406
   2898.07   7.252    398
   2888.79   7.229    145
    990.84   2.480    961
    989.01   2.475   1000

in CDCl3