830-79-5

2,4,6-三甲氧基苯甲醛(830-79-5)质谱(MS)

产品名称:2,4,6-三甲氧基苯甲醛

CAS:830-79-5

分子式:C10H12O4

分子量: 196.2

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

InChIKey: CRBZVDLXAIFERF-UHFFFAOYSA-N

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

Mass

MS-NW-7353          
2,4,6-trimethoxybenzaldehyde
C10H12O4            (Mass of molecular ion:    196)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       3.1
      27.0       1.6
      28.0       1.0
      29.0       2.5
      37.0       1.1
      38.0       3.5
      39.0       6.7
      41.0       1.9
      43.0       1.6
      50.0       5.4
      51.0       8.1
      52.0       4.7
      53.0       5.4
      54.0       1.0
      55.0       1.7
      59.0       5.3
      61.0       2.0
      62.0       5.8
      63.0       9.3
      64.0       3.4
      65.0       5.1
      66.0       4.1
      67.0       1.9
      69.0      16.7
      74.0       1.8
      75.0       2.4
      76.0       1.7
      77.0       5.9
      78.0       4.6
      79.0       5.7
      80.0       2.5
      81.0       2.4
      82.0       1.2
      83.0       1.3
      90.0       1.8
      91.0       3.2
      92.0       3.4
      93.0       3.8
      94.0       2.4
      95.0       5.3
      96.0       1.5
     105.0       1.7
     106.0      20.0
     107.0       6.5
     108.0       3.7
     109.0       7.2
     110.0       2.4
     120.0       5.3
     121.0      11.7
     122.0       6.1
     123.0       3.3
     124.0       2.7
     125.0       6.3
     134.0       4.3
     135.0      11.3
     136.0       2.4
     137.0      13.4
     138.0       3.3
     139.0      10.1
     140.0       1.0
     148.0       3.1
     149.0       8.0
     150.0      16.8
     151.0      14.0
     152.0      11.5
     153.0       3.8
     154.0       2.2
     163.0       5.1
     164.0       3.0
     165.0      13.7
     166.0       3.2
     167.0      13.7
     168.0       3.2
     177.0       1.8
     178.0      18.2
     179.0      52.9
     180.0      18.7
     181.0       8.3
     182.0       1.0
     195.0      62.0
     196.0     100.0
     197.0      12.3
     198.0       1.6

parameter in CDCl3

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	300 MHz
C₁₀ H₁₂ O₄	0.042 g : 0.5 ml CDCl₃
2,4,6-trimethoxybenzaldehyde

    Parameter     ppm  Hz

      D(A)        10.351
     
      D(B)         6.078
     
      D(C)         3.880
     
      D(D)         3.875

     Hz     ppm     Int.

   3105.31  10.351    162
   1823.38   6.078    324
   1164.03   3.880   1000
   1162.53   3.875    542

¹H NMR	89.56 MHz
C₁₀ H₁₂ O₄	0.049 g : 0.5 ml CDCl₃
2,4,6-trimethoxybenzaldehyde

    Assign.     Shift(ppm)

      A            10.4
      B             6.076
      C             3.87

     Hz     ppm     Int.

    544.26   6.078    219
    347.09   3.876   1000
    343.14   3.832     32
    342.99   3.830     32

¹H NMR	399.65 MHz
C₁₀ H₁₂ O₄	0.042 g : 0.5 ml CDCl₃
2,4,6-trimethoxybenzaldehyde

    Assign.     Shift(ppm)

      A            10.351
      B             6.078
      C             3.880
      D             3.875

     Hz     ppm     Int.

   4136.63  10.351    175
   2428.97   6.078    320
   1564.43   3.915     27
   1562.23   3.909     22
   1550.50   3.880   1000
   1548.31   3.875    613
   1536.95   3.846     23

in CDCl3