2,3-DICHLOROANISOLE(1984-59-4) ¹³C NMR

Product Name2,3-DICHLOROANISOLE

CAS 1984-59-4

Molecular FormulaC7H6Cl2O

Molecular Weight177.03

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

InChIKey HFEASCCDHUVYKU-UHFFFAOYSA-N

SmilesC1(Cl)=CC=CC(OC)=C1Cl

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Mass

MS-NW-6549          
2,3-dichloroanisole
C7H6Cl2O            (Mass of molecular ion:    176)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       2.8
      28.0       1.3
      29.0       1.4
      36.0       1.5
      37.0       4.1
      38.0       1.8
      39.0       2.3
      48.0       1.0
      49.0       2.2
      50.0       4.1
      51.0       2.4
      61.0       3.7
      62.0       6.3
      63.0      16.2
      64.0       1.0
      72.0       4.7
      73.0       8.3
      74.0       7.0
      75.0       9.4
      76.0       2.4
      77.0       5.9
      83.0       2.5
      84.0       3.0
      85.0       2.4
      86.0       1.2
      87.0       1.2
      97.0       4.9
      98.0       3.9
      99.0       1.9
     100.0       1.2
     107.0       4.4
     109.0       6.3
     110.0       2.3
     111.0       8.8
     112.0       2.6
     113.0       5.5
     115.0       1.3
     126.0       5.3
     128.0       1.9
     133.0      51.1
     134.0       3.4
     135.0      33.0
     136.0       2.0
     137.0       5.5
     141.0       2.7
     145.0       2.9
     146.0      13.7
     147.0       4.0
     148.0       8.9
     149.0       1.7
     150.0       1.6
     161.0      33.5
     162.0       2.6
     163.0      21.3
     164.0       1.6
     165.0       3.6
     176.0     100.0
     177.0       8.4
     178.0      64.4
     179.0       5.4
     180.0      10.7
     181.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₆ Cl₂ O	0.041 g : 0.5 ml CDCl₃
2,3-dichloroanisole

    Assign.     Shift(ppm)

      A             7.13
      B             7.06
      C             6.828
      D             3.893
     
     J(A,B)=8.1HZ. J(A,C)=7.0HZ. J(B,C)=2.7HZ.

     Hz     ppm     Int.

    649.19   7.249     33
    642.13   7.170     27
    641.13   7.159    127
    635.50   7.096    158
    634.06   7.080    248
    632.81   7.066    250
    627.44   7.006     65
    615.31   6.871     93
    612.63   6.841     66
    608.31   6.793     51
    605.56   6.762     46
    348.69   3.894   1000

in CDCl3