94-99-5

2,4-二氯氯苄(94-99-5)核磁图(¹³CNMR)

产品名称:2,4-二氯氯苄

CAS:94-99-5

分子式:C7H5Cl3

分子量: 195.47

InChI:InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2

InChIKey: IRSVDHPYXFLLDS-UHFFFAOYSA-N

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

Mass

MS-NW-4683          
alpha,2,4-trichlorotoluene
C7H5Cl3             (Mass of molecular ion:    194)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      36.0       2.4
      37.0       1.5
      38.0       1.4
      39.0       3.3
      43.0       2.7
      43.5       1.0
      44.0       2.1
      49.0       1.2
      50.0       2.8
      51.0       1.6
      60.0       1.2
      61.0       6.7
      61.5       2.0
      62.0       6.8
      63.0       8.6
      73.0       5.6
      74.0       1.5
      75.0       2.3
      79.0       3.2
      79.5       1.2
      80.0       2.0
      85.0       1.7
      86.0       2.1
      87.0       2.7
      88.0       1.1
      89.0      11.6
      97.0       3.2
      99.0       2.9
     123.0      12.2
     124.0       5.2
     125.0       5.0
     126.0       1.7
     133.0       2.6
     135.0       1.6
     158.0       1.1
     159.0     100.0
     160.0       8.3
     161.0      61.7
     162.0       5.2
     163.0      10.2
     193.0       3.0
     194.0      16.8
     195.0       4.2
     196.0      15.9
     197.0       2.1
     198.0       5.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₅ Cl₃	0.02 ml : 0.5 ml CDCl₃
alpha,2,4-trichlorotoluene

    Assign.     Shift(ppm)

      A             4.648
      B             7.264
      C             7.38
      D             7.41

     Hz     ppm     Int.

    667.75   7.456    104
    667.31   7.451     92
    664.50   7.420    202
    662.63   7.399    267
    659.44   7.364    334
    657.69   7.344     35
    653.19   7.294    289
    651.31   7.273    211
    644.94   7.202     83
    642.94   7.179     71
    416.31   4.649   1000

in CDCl3