3,5-DIMETHOXYBENZOYL CHLORIDE(17213-57-9) ¹³C NMR

Product Name3,5-DIMETHOXYBENZOYL CHLORIDE

CAS 17213-57-9

Molecular FormulaC9H9ClO3

Molecular Weight200.62

InChIInChI=1S/C9H9ClO3/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3

InChIKey FTHPLWDYWAKYCY-UHFFFAOYSA-N

SmilesC(Cl)(=O)C1=CC(OC)=CC(OC)=C1

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Mass

MS-NW-8682          
3,5-dimethoxybenzoyl chloride
C9H9ClO3            (Mass of molecular ion:    200)

   Source Temperature: 270 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.9
      18.0       1.3
      28.0       2.0
      36.0       2.1
      38.0       2.2
      39.0       1.8
      50.0       2.4
      51.0       6.2
      52.0       1.1
      53.0       2.0
      59.0       1.5
      61.0       1.1
      62.0       3.9
      63.0      10.4
      64.0       2.9
      65.0       1.6
      66.0       2.4
      69.0       5.9
      74.0       1.5
      75.0       1.4
      77.0      12.5
      78.0       1.6
      79.0       6.2
      82.5       2.2
      91.0       1.4
      92.0       4.0
      93.0       1.1
      94.0       3.0
     106.0       2.2
     107.0      11.5
     108.0       1.2
     109.0       2.3
     122.0      27.2
     123.0       2.3
     129.0       1.0
     137.0      28.6
     138.0       3.0
     165.0     100.0
     166.0      10.1
     167.0       1.0
     182.0       1.0
     200.0      26.2
     201.0       2.7
     202.0       8.7

90 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₉ H₉ Cl O₃	0.047 g : 0.5 ml DMSO-d₆
3,5-dimethoxybenzoyl chloride

    Assign.     Shift(ppm)

      A             7.087
      B             6.750
      C             3.803
     
     J(A,B)=2.4HZ

     Hz     ppm     Int.

    635.94   7.101    204
    633.56   7.075    223
    606.56   6.773     59
    604.13   6.746     87
    601.81   6.720     41
    340.63   3.804   1000

in DMSO-d6