50-84-0

2,4-二氯苯甲酸(50-84-0)红外图谱(IR2)

产品名称:2,4-二氯苯甲酸

CAS:50-84-0

分子式:C7H4Cl2O2

分子量: 191.01

InChI:InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)

InChIKey: ATCRIUVQKHMXSH-UHFFFAOYSA-N

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

Mass

MS-NW-1858          
2,4-dichlorobenzoic acid
C7H4Cl2O2           (Mass of molecular ion:    190)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      17.0       1.4
      18.0       6.5
      36.0       2.1
      37.0       5.2
      38.0       2.6
      39.0       1.2
      44.0       4.5
      45.0       3.9
      49.0       3.0
      50.0       9.7
      51.0       3.0
      53.0       1.7
      54.5       3.0
      55.0       3.5
      55.5       1.3
      56.0       1.0
      60.0       1.0
      61.0       2.1
      62.0       1.8
      63.0       5.1
      72.0       1.4
      72.5       2.2
      73.0       7.8
      73.5       1.4
      74.0      21.5
      75.0      21.2
      76.0       2.0
      81.0       4.6
      82.0       3.1
      84.0       5.3
      85.0       3.3
      86.0       2.0
      86.5       2.4
      87.0       1.6
      87.5       1.8
      98.0       1.7
      99.0       3.8
     101.0       1.4
     108.0       1.4
     109.0      15.6
     110.0       9.3
     111.0      11.0
     112.0       3.3
     113.0       2.1
     139.0       3.5
     141.0       1.2
     145.0      25.5
     146.0       3.8
     147.0      16.6
     148.0       2.3
     149.0       2.7
     156.0       2.6
     158.0       1.0
     162.0       3.4
     164.0       2.1
     173.0     100.0
     174.0       7.7
     175.0      64.6
     176.0       5.3
     177.0      10.6
     190.0      60.5
     191.0       4.9
     192.0      40.3
     193.0       3.1
     194.0       6.4

90 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₇ H₄ Cl₂ O₂	0.040 g : 0.5 ml CDCl₃
2,4-dichlorobenzoic acid

    Assign.     Shift(ppm)

      A            13.5
      B             7.843
      C             7.707
      D             7.532

     Hz     ppm     Int.

   1213.33  13.548     60
    707.72   7.903    586
    699.38   7.810   1000
    691.23   7.719    697
    689.21   7.696    798
    678.40   7.575    594
    676.29   7.552    438
    673.45   7.520     29
    670.06   7.482    327
    667.96   7.459    268

in DMSO-d6