120-83-2

2,4-二氯酚(120-83-2)質(zhì)譜(MS)

產(chǎn)品名稱:2,4-二氯酚

CAS:120-83-2

分子式:C6H4Cl2O

分子量: 163

InChI:InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H

InChIKey: HFZWRUODUSTPEG-UHFFFAOYSA-N

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

Mass

MS-NW-8655          
2,4-dichlorophenol
C6H4Cl2O            (Mass of molecular ion:    162)

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

      18.0       1.0
      28.0       1.4
      31.0       2.4
      36.0       2.1
      37.0       3.8
      38.0       3.4
      39.0       2.3
      48.0       2.3
      49.0       7.2
      50.0       3.6
      53.0       4.2
      60.0       1.3
      61.0       4.9
      62.0       7.9
      63.0      45.6
      64.0       4.2
      72.0       2.6
      73.0       8.9
      74.0       2.8
      75.0       3.1
      81.0       4.2
      82.0       2.7
      83.0       1.3
      91.0       1.3
      97.0       2.4
      98.0      39.7
      99.0      12.6
     100.0      13.4
     101.0       3.9
     109.0       1.0
     126.0      16.5
     127.0       1.7
     128.0       5.5
     133.0       2.8
     134.0       1.1
     135.0       1.8
     162.0     100.0
     163.0       6.9
     164.0      63.6
     165.0       4.3
     166.0      10.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₄ Cl₂ O	0.046 g : 0.5 ml CDCl₃
2,4-dichlorophenol

    Assign.     Shift(ppm)

      A             7.317
      B             7.136
      C             6.954
      D             5.49
     
     J(A,B)=2.5HZ. J(A,C)=0.4HZ. J(B,C)=8.7HZ.

     Hz     ppm     Int.

    656.88   7.335    615
    656.44   7.330    559
    654.50   7.308    906
    654.06   7.304    770
    646.19   7.216    264
    643.88   7.190    134
    637.56   7.119    528
    635.19   7.093    451
    625.56   6.985   1000
    625.13   6.981    898
    616.88   6.888    414
    616.44   6.883    363
    491.81   5.492    828

in CDCl3