14737-89-4

3,4-二甲氧基肉酸酸(14737-89-4)质谱(MS)

产品名称:3,4-二甲氧基肉酸酸

CAS:14737-89-4

分子式:C11H12O4

分子量: 208.21

InChI:InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+

InChIKey: HJBWJAPEBGSQPR-GQCTYLIASA-N

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

Mass

MS-NW-6390          
trans-3,4-dimethoxycinnamic acid
C11H12O4            (Mass of molecular ion:    208)

   Source Temperature: 140 °C
   Sample Temperature:  90 °C
   Direct, 75 eV

      15.0       1.9
      17.0       2.6
      18.0      13.0
      28.0       2.0
      38.0       1.1
      39.0       2.3
      41.0       1.0
      44.0       1.0
      45.0       1.3
      50.0       2.8
      51.0       6.0
      52.0       1.2
      53.0       1.4
      55.0       2.3
      62.0       1.4
      63.0       3.2
      65.0       2.1
      66.0       2.3
      69.0       1.5
      74.0       1.2
      75.0       1.2
      76.0       2.1
      77.0       8.1
      78.0       2.1
      79.0       2.3
      89.0       3.2
      90.0       1.0
      91.0       6.7
      92.0       1.1
      94.0       1.9
      95.0       2.2
      95.5       1.0
     102.0       1.4
     103.0       4.2
     104.0       2.0
     105.0       3.0
     106.0       1.0
     107.0       1.4
     109.0       2.3
     117.0       1.6
     118.0       1.5
     119.0       5.4
     120.0       1.1
     121.0       1.4
     122.0       1.1
     123.0       3.4
     131.0       1.0
     133.0       6.2
     134.0       1.4
     137.0       3.3
     145.0       1.4
     147.0       6.5
     148.0       1.5
     149.0       1.7
     150.0       1.1
     161.0       3.8
     162.0       1.5
     163.0       1.9
     165.0       2.3
     190.0       1.1
     191.0       3.5
     192.0       1.6
     193.0      18.8
     194.0       2.5
     207.0       1.1
     208.0     100.0
     209.0      12.9
     210.0       1.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₁₂ O₄	0.043 g : 0.5 ml CDCl₃
trans-3,4-dimethoxycinnamic acid

    Assign.     Shift(ppm)

      A             9.9
      B             7.73
      C             7.16
      D             7.09
      E             6.88
      F             6.33
      G             3.92
     
     J(B,F)=16.2HZ

     Hz     ppm     Int.

    701.28   7.831     76
    685.47   7.654     96
    634.72   7.088    224
    619.59   6.919    114
    573.71   6.406     95
    558.15   6.233     76
    557.73   6.228     76
    351.28   3.923   1000

in CDCl3