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返回ChemicalBook首页>CAS数据库列表>3535-37-3更多图谱> 3,4-二甲氧基苯甲酰氯(3535-37-3)核磁图(13CNMR)

3535-37-3

3,4-二甲氧基苯甲酰氯(3535-37-3)核磁图(13CNMR)

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

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    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

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

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KBr disc

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nujol mull

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