573-11-5

2,3,4-三甲氧基苯甲酸(573-11-5)核磁圖(¹³CNMR)

產(chǎn)品名稱:2,3,4-三甲氧基苯甲酸

CAS:573-11-5

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

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

¹H NMR	89.56 MHz
C₁₀ H₁₂ O₅	0.043 g : 0.5 ml CDCl₃
2,3,4-trimethoxybenzoic acid

    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