3,5-Dichloroanisole(33719-74-3) IR2

Product Name3,5-Dichloroanisole

CAS 33719-74-3

Molecular FormulaC7H6Cl2O

Molecular Weight177.03

InChIInChI=1S/C7H6Cl2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3

InChIKey SSNXYMVLSOMJLU-UHFFFAOYSA-N

SmilesC1(Cl)=CC(OC)=CC(Cl)=C1

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Mass

MS-NW-8865          
3,5-dichloroanisole
C7H6Cl2O            (Mass of molecular ion:    176)

   Source Temperature: 270 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      15.0       1.4
      36.0       1.7
      37.0       1.9
      38.0       2.8
      49.0       1.3
      50.0       3.4
      51.0       1.6
      61.0       3.4
      62.0       6.9
      63.0      17.0
      72.0       1.2
      73.0       8.3
      74.0       7.8
      75.0       9.5
      77.0      10.5
      78.0       1.3
      83.0       2.5
      84.0       1.5
      85.0       2.6
      87.0       1.0
      91.0       1.6
      97.0       3.4
      98.0       3.8
      99.0       1.5
     100.0       1.2
     107.0       1.4
     109.0       6.3
     110.0       2.4
     111.0      26.4
     112.0       3.0
     113.0      13.6
     114.0       1.1
     115.0       1.9
     126.0       3.9
     128.0       1.3
     133.0      23.3
     134.0       1.6
     135.0      15.0
     137.0       2.5
     141.0       2.6
     145.0       4.7
     146.0      69.3
     147.0      16.0
     148.0      44.6
     149.0       8.9
     150.0       7.6
     151.0       1.3
     161.0       2.5
     163.0       1.6
     175.0       1.4
     176.0     100.0
     177.0       8.5
     178.0      64.3
     179.0       5.1
     180.0      10.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₆ Cl₂ O	0.046 g : 0.5 ml CDCl₃
3,5-dichloroanisole

    Assign.     Shift(ppm)

      A             6.939
      B             6.785
      C             3.775
     
     J(A,B)=1.8HZ.

     Hz     ppm     Int.

    623.44   6.962     93
    621.75   6.943    162
    619.88   6.922    146
    608.31   6.793    379
    606.56   6.773    296
    338.13   3.776   1000

in CDCl3