2,3-二甲氧基肉桂酸(7345-82-6)質(zhì)譜(MS)

產(chǎn)品名稱:2,3-二甲氧基肉桂酸

CAS:7345-82-6

分子式:C11H12O4

分子量: 208.21

InChI:InChI=1S/C11H12O4/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13/h3-7H,1-2H3,(H,12,13)/b7-6+

InChIKey: QAXPUWGAGVERSJ-VOTSOKGWSA-N

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

Mass

MS-IW-6983          
trans-2,3-dimethoxycinnamic acid
C11H12O4            (Mass of molecular ion:    208)

   Source Temperature: 140 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       4.0
      28.0       1.7
      38.0       1.1
      39.0       2.5
      45.0       1.1
      50.0       2.0
      51.0       6.1
      52.0       1.4
      53.0       1.3
      55.0       1.7
      59.0       1.1
      62.0       1.2
      63.0       2.9
      65.0       3.6
      66.0       2.8
      74.0       1.1
      75.0       1.5
      76.0       1.8
      77.0      10.5
      78.0       3.3
      79.0       1.7
      88.0       2.3
      89.0       3.4
      90.0       1.3
      91.0      12.2
      92.0       1.6
      94.0       1.6
     102.0       1.1
     103.0       4.5
     104.0       1.5
     105.0       7.0
     106.0       2.0
     107.0       1.1
     109.0       1.5
     117.0       1.0
     118.0       2.6
     119.0       2.7
     120.0       3.1
     121.0      17.9
     122.0       2.1
     123.0       1.2
     131.0       2.6
     132.0       1.0
     133.0      10.5
     134.0      17.0
     135.0       2.5
     137.0       1.2
     147.0       5.8
     148.0      11.7
     149.0       7.8
     150.0       1.6
     161.0       6.0
     162.0       4.7
     163.0       1.5
     175.0       4.7
     176.0      41.8
     177.0      90.3
     178.0      10.2
     179.0       1.1
     191.0       4.4
     193.0       1.0
     208.0     100.0
     209.0      12.5
     210.0       1.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₁ H₁₂ O₄	0.041 g : 0.5 ml DMSO-d₆
trans-2,3-dimethoxycinnamic acid

    Assign.     Shift(ppm)

      A            12.5
      B             7.828
      C             7.334
      D             7.12
      E             6.538
      F     *1      3.839
      G     *1      3.780

     Hz     ppm     Int.

   3136.88   7.850    151
   3120.64   7.809    161
   2936.23   7.348     67
   2932.81   7.339     63
   2930.04   7.332     77
   2926.83   7.324     80
   2852.26   7.137     36
   2847.34   7.125    332
   2844.14   7.117    149
   2841.36   7.110    131
   2833.24   7.090     21
   2621.05   6.559    193
   2604.81   6.518    179
   1534.47   3.840    789
   1528.91   3.826     24
   1510.75   3.781   1000

in DMSO-d6