3535-37-3

3,4-二甲氧基苯甲酰氯(3535-37-3)核磁图(¹³CNMR)

产品名称:3,4-二甲氧基苯甲酰氯

CAS:3535-37-3

分子式:C9H9ClO3

分子量: 200.62

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

InChIKey: VIOBGCWEHLRBEP-UHFFFAOYSA-N

Smiles:C(Cl)(=O)C1=CC=C(OC)C(OC)=C1

Mass

MS-IW-0002          
3,4-dimethoxybenzoyl chloride
C9H9ClO3            (Mass of molecular ion:    200)

   Source Temperature: 230 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       1.6
      28.0       2.6
      36.0       2.6
      38.0       1.2
      39.0       1.4
      41.0       1.3
      43.0       1.1
      50.0       4.0
      51.0       8.1
      53.0       2.4
      62.0       1.9
      63.0       3.4
      64.0       1.5
      65.0       2.3
      66.0       2.1
      74.0       1.1
      75.0       1.5
      76.0       2.4
      77.0      13.0
      78.0       1.7
      79.0      11.3
      82.5       1.6
      91.0       1.5
      92.0       4.4
      93.0       1.6
      94.0       5.4
     105.0       1.0
     107.0       3.8
     109.0       1.9
     119.0       1.9
     120.0       1.4
     121.0       2.4
     122.0       7.2
     137.0      13.0
     138.0       1.5
     149.0       1.1
     165.0     100.0
     166.0      10.2
     167.0       1.7
     182.0       1.9
     200.0      18.3
     201.0       1.9
     202.0       6.1

parameter in CDCl3

¹H NMR	300 MHz
C₉ H₉ Cl O₃	0.039 g : 0.5 ml CDCl₃
3,4-dimethoxybenzoyl chloride

    Parameter     ppm  Hz

      D(A)         7.841
      D(B)         7.534
      D(C)         6.942
       J(A,B)          2.1
       J(A,C)          8.6
       J(B,C)          0.
     
      D(D) *1      3.966
      D(E) *1      3.955

     Hz     ppm     Int.

   2357.73   7.859     81
   2355.65   7.852     84
   2349.14   7.830     86
   2347.07   7.824     90
   2261.25   7.537    173
   2259.18   7.531    166
   2086.83   6.956    170
   2078.28   6.928    160
   1189.81   3.966   1000
   1186.53   3.955   1000

in CDCl3