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135-77-3

1,2,4-三甲氧基苯(135-77-3)核磁图(1HNMR)

产品名称:1,2,4-三甲氧基苯

CAS:135-77-3

分子式:C9H12O3

分子量: 168.19

InChI:InChI=1S/C9H12O3/c1-10-7-4-5-8(11-2)9(6-7)12-3/h4-6H,1-3H3

InChIKey: AGIQIOSHSMJYJP-UHFFFAOYSA-N

Smiles:C1(OC)=CC=C(OC)C=C1OC

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    Mass

    MS-NW-6059          
    1,2,4-trimethoxybenzene
    C9H12O3             (Mass of molecular ion:    168)
    

       Source Temperature: 250 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       6.1
          26.0       1.6
          27.0       1.6
          28.0       2.9
          29.0       1.7
          38.0       2.3
          39.0       7.6
          41.0       3.9
          43.0       1.4
          50.0       4.4
          51.0      10.3
          52.0      12.1
          53.0       5.9
          54.0       2.2
          55.0       2.5
          59.0       2.6
          62.0       2.3
          63.0       3.9
          64.0       3.0
          65.0       7.7
          66.0       2.1
          67.0       2.3
          69.0      14.6
          77.0       6.5
          78.0       1.0
          79.0      10.2
          80.0       5.0
          81.0       1.3
          82.0       4.6
          92.0       3.5
          93.0       7.4
          94.0       2.7
          95.0       8.5
          97.0       1.4
         107.0       6.7
         108.0       4.9
         109.0       3.5
         110.0      16.3
         111.0       1.6
         121.0       1.0
         122.0       2.4
         123.0       3.2
         124.0       1.1
         125.0      49.0
         126.0       4.2
         137.0       1.9
         152.0       2.2
         153.0      87.0
         154.0       8.5
         155.0       1.2
         165.0       1.4
         166.0       2.5
         167.0       1.1
         168.0     100.0
         169.0      10.6
         170.0       1.2
    

parameter in CDCl3

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    1H NMR 300 MHz
    C9 H12 O3 0.05 ml : 0.5 ml CDCl3
    1,2,4-trimethoxybenzene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 6.760 D(B) 6.502 D(C) 6.383 J(A,B) 0.0 J(A,C) 8.6 J(B,C) 2.8 D(D) *1 3.831 D(E) *1 3.808 D(F) *1 3.743

         Hz     ppm     Int.
    

       2032.47   6.775    154
       2023.88   6.746    179
       1952.06   6.507    156
       1949.27   6.498    182
       1920.38   6.401     99
       1917.62   6.392     84
       1911.79   6.373     84
       1909.03   6.363     73
       1149.30   3.831   1000
       1142.42   3.808   1000
       1122.94   3.743    997
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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