2,4-Dichlorobenzyl chloride(94-99-5) ¹³C NMR

Product Name2,4-Dichlorobenzyl chloride

CAS 94-99-5

Molecular FormulaC7H5Cl3

Molecular Weight195.47

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

InChIKey IRSVDHPYXFLLDS-UHFFFAOYSA-N

SmilesC1(CCl)=CC=C(Cl)C=C1Cl

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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