4460-86-0

2,4,5-三甲氧基苯甲醛(4460-86-0)质谱(MS)

产品名称:2,4,5-三甲氧基苯甲醛

CAS:4460-86-0

分子式:C10H12O4

分子量: 196.2

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

InChIKey: IAJBQAYHSQIQRE-UHFFFAOYSA-N

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

Mass

MS2015-05119CW      
2,4,5-trimethoxybenzaldehyde
C10H12O4            (Mass of molecular ion:    196)

   Source Temperature: 240 °C
   Sample Temperature:  20 °C
   Direct, 70 eV

      15.0       1.1
      32.0       1.4
      39.0       2.5
      50.0       2.6
      51.0       4.2
      52.0       1.9
      53.0       4.6
      59.0       3.7
      62.0       1.5
      63.0       2.1
      64.0       1.0
      65.0       2.7
      66.0       2.2
      67.0       1.4
      69.0       5.5
      75.0       1.0
      77.0       2.9
      78.0       1.0
      79.0       4.2
      80.0       1.8
      81.0       1.5
      82.0       2.4
      92.0       1.6
      93.0       5.1
      94.0       1.5
      95.0       6.3
      97.0       1.5
     107.0       3.8
     108.0       1.6
     109.0       6.4
     110.0      10.1
     120.0       1.1
     121.0       3.0
     122.0       2.5
     123.0       4.1
     124.0       1.8
     125.0      24.1
     126.0       1.7
     135.0       4.2
     136.0       5.2
     137.0       4.5
     138.0       4.9
     139.0       5.8
     149.0       1.2
     150.0      23.4
     151.0       7.4
     152.0       2.8
     153.0      20.3
     154.0       1.9
     164.0       1.0
     165.0       4.4
     166.0       1.2
     167.0       5.1
     178.0       1.8
     179.0       8.4
     180.0       3.3
     181.0      55.0
     182.0       5.4
     195.0      15.0
     196.0     100.0
     197.0      12.3
     198.0       1.5

in CDCl3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₂ O₄	0.035 g : 0.5 ml CDCl₃
2,4,5-trimethoxybenzaldehyde

    Assign.     Shift(ppm)

      A            10.313
      B             7.316
      C             6.500
      D     *1      3.974
      E     *1      3.923
      F     *1      3.874

     Hz     ppm     Int.

    923.73  10.315    465
    655.37   7.318    297
    582.28   6.502    237
    364.60   4.072     26
    364.09   4.066     26
    363.57   4.060     25
    363.21   4.056     26
    362.11   4.044     30
    361.23   4.034     35
    360.50   4.026     42
    355.96   3.975    929
    351.42   3.924   1000
    347.02   3.875    965
    343.07   3.831     33
    342.77   3.828     31
    342.48   3.825     29

in CDCl3