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返回ChemicalBook首页>CAS数据库列表>2150-37-0更多图谱> 3,5-二甲氧基苯甲酸甲酯(2150-37-0)核磁图(1HNMR)

2150-37-0

3,5-二甲氧基苯甲酸甲酯(2150-37-0)核磁图(1HNMR)

分子式:C10H12O4

分子量: 196.2

InChI:InChI=1S/C10H12O4/c1-12-8-4-7(10(11)14-3)5-9(6-8)13-2/h4-6H,1-3H3

InChIKey: YXUIOVUOFQKWDM-UHFFFAOYSA-N

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

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    Mass

    MS-NW-7260          
    methyl 3,5-dimethoxybenzoate
    C10H12O4            (Mass of molecular ion:    196)
    

       Source Temperature: 210 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       8.6
          27.0       1.2
          28.0       2.9
          29.0       2.0
          37.0       1.0
          38.0       2.9
          39.0       3.9
          41.0       1.2
          50.0       3.8
          51.0      10.3
          52.0       3.4
          53.0       2.8
          59.0       7.5
          61.0       1.6
          62.0       5.5
          63.0      15.2
          64.0       5.1
          65.0       2.6
          66.0       2.9
          69.0       9.2
          74.0       2.1
          75.0       2.3
          77.0      13.6
          78.0       4.0
          79.0       8.7
          80.0       1.5
          82.0       1.2
          82.5       2.2
          83.0       1.1
          91.0       2.1
          92.0       5.3
          93.0       2.1
          94.0       3.8
          95.0       2.7
          98.0       2.3
         105.0       1.3
         106.0       3.4
         107.0      17.9
         108.0       6.0
         109.0       8.2
         110.0       1.4
         121.0       1.2
         122.0      29.2
         123.0       5.3
         125.0       2.5
         135.0      11.4
         136.0       1.6
         137.0      34.3
         138.0      35.0
         139.0       3.4
         150.0       3.1
         151.0       1.9
         153.0       1.6
         163.0       1.0
         165.0      78.1
         166.0       9.0
         167.0       1.4
         195.0       1.5
         196.0     100.0
         197.0      11.4
         198.0       1.5
    

400 MHz in DMSO-d6

parameter in acetone-d6

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    1H NMR 399.65 MHz
    C10 H12 O4 0.028 g : 0.5 ml DMSO-d6
    methyl 3,5-dimethoxybenzoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.069 B 6.780 C 3.849 D 3.800

         Hz     ppm     Int.
    

       2826.42   7.073    223
       2824.10   7.067    223
       2711.55   6.785     61
       2709.23   6.780    107
       2706.79   6.773     54
       1538.57   3.850    562
       1518.92   3.801   1000
    

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    1H NMR 300 MHz
    C10 H12 O4 1.0 M in acetone-d6
    methyl 3,5-dimethoxybenzoate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.117 D(B) 6.692 J(A,B) 2.36 D(C) 3.859 D(D) 3.825 SCOTT,K.N. J.MAGN.RESON. 2, 361 (1970)

         Hz     ppm     Int.
    

       2136.31   7.121    168
       2133.96   7.113    174
       2009.93   6.700     46
       2007.61   6.692     85
       2005.23   6.684     42
       1157.69   3.859    501
       1147.53   3.825   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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4880 A,200 M,powder

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