608-23-1

3-氯-邻-二甲苯(608-23-1)核磁图(¹³CNMR)

产品名称:3-氯-邻-二甲苯

CAS:608-23-1

分子式:C8H9Cl

分子量: 140.61

InChI:InChI=1S/C8H9Cl/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3

InChIKey: NVLHGZIXTRYOKT-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-KW-0165          
3-chloro-o-xylene
C8H9Cl              (Mass of molecular ion:    140)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       2.5
      38.0       1.3
      39.0       4.4
      50.0       3.6
      51.0      14.3
      51.5       1.1
      52.0       2.5
      53.0       1.5
      62.0       1.8
      63.0       4.3
      65.0       1.5
      69.0       1.9
      70.0       1.0
      73.0       1.4
      74.0       1.5
      75.0       2.4
      76.0       1.2
      77.0      14.2
      78.0       5.2
      79.0       8.0
      89.0       2.7
      91.0       1.4
      99.0       1.2
     101.0       1.3
     102.0       2.3
     103.0      12.9
     104.0       4.4
     105.0     100.0
     106.0       9.4
     125.0      15.0
     126.0       1.1
     127.0       4.8
     139.0       6.0
     140.0      36.9
     141.0       5.2
     142.0      11.8
     143.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₉ Cl	0.05 ml : 0.5 ml CDCl₃
3-chloro-o-xylene

    Assign.     Shift(ppm)

      A             7.173
      B             6.99
      C             6.96
      D     *1      2.284
      E     *1      2.264

     Hz     ppm     Int.

   2871.22   7.185    112
   2869.75   7.181    100
   2869.14   7.180    103
   2863.89   7.166    140
   2861.94   7.162    130
   2801.39   7.010     44
   2799.44   7.005     68
   2799.07   7.004     68
   2793.70   6.991    233
   2791.26   6.985    348
   2783.57   6.966    191
   2776.12   6.947     58
    921.14   2.305     42
    920.65   2.304     45
    912.96   2.285   1000
    904.91   2.265    901
    904.54   2.264    901

in CDCl3