3024-72-4

3,4-二氯苯甲酰氯(3024-72-4)核磁图(¹³CNMR)

产品名称:3,4-二氯苯甲酰氯

CAS:3024-72-4

分子式:C7H3Cl3O

分子量: 209.46

InChI:InChI=1S/C7H3Cl3O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H

InChIKey: VTXNOVCTHUBABW-UHFFFAOYSA-N

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

Mass

MS-NW-2900          
3,4-dichlorobenzoyl chloride
C7H3Cl3O            (Mass of molecular ion:    208)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      28.0       1.3
      36.0       2.0
      37.0       4.4
      38.0       1.8
      49.0       2.5
      50.0       5.6
      51.0       1.0
      54.0       3.4
      55.0       3.3
      56.0       1.1
      60.0       1.1
      61.0       2.1
      62.0       1.2
      72.0       2.1
      72.5       1.3
      73.0       4.7
      74.0      16.3
      75.0      14.1
      84.0       5.0
      85.0       2.6
      86.0       4.3
      87.0       2.5
     108.0       1.1
     109.0      17.0
     110.0       6.0
     111.0       6.2
     112.0       1.9
     123.0       1.3
     138.0       1.0
     139.0       1.3
     145.0      36.1
     146.0       2.8
     147.0      22.5
     148.0       1.6
     149.0       3.7
     173.0     100.0
     174.0       8.6
     175.0      66.0
     176.0       5.3
     177.0      10.7
     193.0       8.8
     195.0       8.7
     197.0       2.7
     208.0       9.9
     210.0       9.8
     212.0       3.1
     228.0       1.1
     230.0       1.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₃ Cl₃ O	0.05 ml : 0.5 ml CDCl₃
3,4-dichlorobenzoyl chloride

    Assign.     Shift(ppm)

      A             8.165
      B             7.928
      C             7.599

     Hz     ppm     Int.

    732.50   8.179    754
    732.13   8.175    624
    730.38   8.156    958
    730.00   8.151    760
    728.25   8.132     38
    716.19   7.997    538
    714.06   7.973    387
    707.75   7.903    790
    705.56   7.879    711
    685.81   7.658     27
    683.94   7.637   1000
    675.50   7.543    627
    675.13   7.539    518

in CDCl3