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573-11-5

2,3,4-三甲氧基苯甲酸(573-11-5)质谱(MS)

分子式:C10H12O5

分子量: 212.2

InChI:InChI=1S/C10H12O5/c1-13-7-5-4-6(10(11)12)8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)

InChIKey: HZNQSWJZTWOTKM-UHFFFAOYSA-N

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

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    Mass

    MS-NW-6770          
    2,3,4-trimethoxybenzoic acid
    C10H12O5            (Mass of molecular ion:    212)
    

       Source Temperature: 130 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          14.0       1.2
          15.0      18.3
          17.0       1.9
          18.0       7.0
          26.0       1.7
          27.0       5.9
          28.0       3.2
          29.0       6.1
          31.0       2.3
          37.0       4.9
          38.0      15.3
          39.0      27.9
          40.0       1.7
          41.0       3.2
          42.0       1.1
          43.0       3.6
          45.0       5.3
          49.0       3.7
          50.0      13.0
          51.0      15.8
          52.0       4.4
          53.0      21.2
          54.0       2.3
          55.0       9.7
          59.0       3.5
          61.0       3.5
          62.0       5.1
          63.0       6.6
          64.0       3.0
          65.0      13.2
          66.0      12.6
          67.0       6.1
          68.0       3.1
          69.0       5.1
          71.0       6.1
          74.0       2.3
          75.0       2.7
          76.0       3.6
          77.0      13.3
          78.0       8.0
          79.0       8.8
          80.0       3.0
          81.0       9.7
          82.0       2.7
          83.0       6.4
          90.0       1.4
          91.0       2.3
          92.0       4.6
          93.0       8.8
          94.0       9.7
          95.0      18.4
          96.0       3.0
          97.0       1.3
          98.0       3.4
          99.0       1.0
         104.0       1.4
         105.0       2.5
         106.0       5.8
         107.0       7.7
         108.0       5.4
         109.0      21.6
         110.0       4.1
         111.0       6.4
         119.0       3.4
         120.0       5.3
         121.0       5.8
         122.0       4.1
         123.0      10.0
         124.0       4.1
         125.0       2.6
         126.0       3.0
         131.0       1.9
         132.0       1.4
         133.0       2.6
         134.0       5.6
         135.0       6.5
         136.0       4.4
         137.0      71.4
         138.0       7.5
         139.0      34.1
         140.0       3.3
         141.0       6.7
         147.0       1.4
         148.0       3.0
         149.0       3.6
         150.0       1.3
         151.0       8.9
         152.0       9.6
         153.0       2.7
         154.0       6.1
         161.0       1.4
         162.0       2.3
         163.0       3.6
         164.0       3.5
         165.0      13.1
         166.0       3.8
         167.0      27.8
         168.0       3.4
         169.0      19.1
         170.0       1.9
         177.0       1.0
         179.0      39.2
         180.0       4.4
         181.0       4.2
         182.0       1.8
         183.0      11.5
         184.0       1.4
         193.0       4.6
         194.0       1.2
         195.0      10.4
         196.0       1.4
         197.0      26.8
         198.0       3.0
         212.0     100.0
         213.0      11.0
         214.0       1.9
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C10 H12 O5 0.043 g : 0.5 ml CDCl3
    2,3,4-trimethoxybenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.7 B 7.885 C 6.817 D 4.130 E *1 3.948 F *1 3.892

         Hz     ppm     Int.
    

        711.11   7.941    125
        702.14   7.840    151
        614.64   6.863    144
        605.66   6.763    123
        374.78   4.185     25
        369.91   4.131    929
        364.44   4.070     56
        364.01   4.065     56
        360.60   4.027     32
        360.17   4.022     31
        353.59   3.949    903
        348.55   3.892   1000
    

in CDCl3

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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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