2103-57-3

2,3,4-三甲氧基苯甲醛(2103-57-3)Raman光谱

产品名称:2,3,4-三甲氧基苯甲醛

CAS:2103-57-3

分子式:C10H12O4

分子量: 196.2

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

InChIKey: UCTUXUGXIFRVGX-UHFFFAOYSA-N

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

Mass

MS-NW-8748          
2,3,4-trimethoxybenzaldehyde
C10H12O4            (Mass of molecular ion:    196)

   Source Temperature: 270 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      15.0       3.9
      18.0       4.6
      27.0       1.6
      28.0       5.3
      29.0       2.5
      37.0       1.2
      38.0       4.6
      39.0      14.4
      41.0       3.3
      43.0       2.7
      45.0       1.6
      50.0       5.0
      51.0       8.5
      52.0       3.1
      53.0       8.0
      54.0       1.8
      55.0       2.8
      59.0       1.5
      62.0       1.8
      63.0       3.2
      64.0       1.9
      65.0      13.6
      66.0       5.4
      67.0       6.5
      69.0       3.1
      75.0       1.8
      76.0       4.4
      77.0      10.7
      78.0       5.8
      79.0       8.1
      80.0       2.9
      81.0       4.0
      82.0       7.0
      90.0       2.3
      91.0       2.8
      92.0       4.0
      93.0      10.3
      94.0       4.9
      95.0      15.5
      96.0       1.7
      97.0       3.4
     104.0       3.4
     105.0       5.5
     106.0       6.3
     107.0      10.1
     108.0       5.3
     109.0       5.5
     110.0      10.4
     118.0       2.0
     119.0       4.0
     120.0      12.7
     121.0       5.9
     122.0       4.1
     123.0      14.5
     124.0       2.2
     125.0       6.0
     132.0       1.2
     133.0       2.2
     134.0       5.5
     135.0      18.0
     136.0       7.9
     137.0      10.0
     138.0       7.0
     139.0       5.3
     147.0       1.0
     148.0       9.6
     149.0       5.7
     150.0      20.9
     151.0      13.8
     152.0       8.3
     153.0       9.4
     154.0       1.6
     162.0       1.2
     163.0      33.9
     164.0       4.0
     165.0       6.9
     166.0       6.6
     167.0       8.4
     168.0       1.9
     177.0       2.6
     178.0      10.6
     179.0      20.3
     180.0       4.8
     181.0      40.1
     182.0       4.0
     195.0      13.9
     196.0     100.0
     197.0      11.5
     198.0       1.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₂ O₄	0.058 g : 0.5 ml CDCl₃
2,3,4-trimethoxybenzaldehyde

    Assign.     Shift(ppm)

      A            10.244
      B             7.598
      C             6.767
      D             4.034
      E             3.941
      F             3.890
     
     J(B,C)=8.8HZ
     J(A,C)=0.6HZ

     Hz     ppm     Int.

    917.80  10.248    209
    917.21  10.242    197
    685.33   7.653    136
    676.54   7.555    169
    610.11   6.813    109
    601.32   6.715     88
    361.38   4.036   1000
    353.03   3.942    865
    348.49   3.892    993

in CDCl3