32768-54-0

2,3-二氯甲苯(32768-54-0)質譜(MS)

產(chǎn)品名稱:2,3-二氯甲苯

CAS:32768-54-0

分子式:C7H6Cl2

分子量: 161.03

InChI:InChI=1S/C7H6Cl2/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3

InChIKey: GWLKCPXYBLCEKC-UHFFFAOYSA-N

Smiles:C1(Cl)=CC=CC(C)=C1Cl

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-8530          
2,3-dichlorotoluene
C7H6Cl2             (Mass of molecular ion:    160)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      37.0       1.5
      38.0       2.0
      39.0       6.0
      43.0       3.0
      44.0       7.8
      49.0       1.5
      50.0       3.3
      51.0       2.7
      61.0       3.7
      62.0      11.7
      63.0      15.2
      64.0       1.9
      65.0       1.0
      73.0       5.7
      74.0       2.4
      75.0       3.4
      80.0       1.0
      84.0       1.5
      85.0       2.0
      86.0       2.2
      87.0       2.4
      89.0      30.5
      90.0       4.4
      97.0       2.2
      99.0       5.7
     101.0       1.7
     123.0       3.8
     124.0       6.2
     125.0     100.0
     126.0       9.6
     127.0      31.6
     128.0       2.4
     133.0       1.0
     159.0       6.6
     160.0      41.7
     161.0       7.2
     162.0      26.5
     163.0       2.7
     164.0       4.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₆ Cl₂	0.05 ml : 0.5 ml CDCl₃
2,3-dichlorotoluene

    Assign.     Shift(ppm)

      A             7.250
      B             7.079
      C             7.037
      D             2.375

     Hz     ppm     Int.

   2902.95   7.264    132
   2902.34   7.263    128
   2901.73   7.261    108
   2901.12   7.260    134
   2900.51   7.258    119
   2895.14   7.245    155
   2894.65   7.243    149
   2893.31   7.240    160
   2892.82   7.239    141
   2835.57   7.096     79
   2834.96   7.094     84
   2833.74   7.091     95
   2833.13   7.090     85
   2828.00   7.077    199
   2827.39   7.075    200
   2826.66   7.073    159
   2826.17   7.072    173
   2825.44   7.070    152
   2818.48   7.053    291
   2810.79   7.034    321
   2803.22   7.015    118
    949.10   2.375   1000
    948.73   2.374    994

in CDCl3