86-51-1

2,3-二甲氧基苯甲醛(86-51-1)Raman光谱

产品名称:2,3-二甲氧基苯甲醛

CAS:86-51-1

分子式:C9H10O3

分子量: 166.17

InChI:InChI=1S/C9H10O3/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-6H,1-2H3

InChIKey: JIVGSHFYXPRRSZ-UHFFFAOYSA-N

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

Mass

MS-NW-8779          
2,3-dimethoxybenzaldehyde
C9H10O3             (Mass of molecular ion:    166)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.8
      26.0       1.5
      27.0       1.4
      28.0       2.8
      29.0       2.8
      37.0       1.4
      38.0       3.1
      39.0       7.6
      41.0       8.4
      43.0       1.8
      50.0       8.8
      51.0      18.9
      52.0      14.7
      53.0       7.3
      54.0       1.1
      55.0       4.7
      61.0       1.1
      62.0       3.4
      63.0       9.0
      64.0       4.3
      65.0      18.6
      66.0       2.2
      67.0       8.3
      69.0       1.4
      74.0       2.0
      75.0       2.4
      76.0      26.0
      77.0      31.3
      78.0       8.6
      79.0      10.0
      80.0      10.1
      81.0       1.6
      90.0      10.3
      91.0       6.8
      92.0       6.9
      93.0      12.1
      94.0       2.9
      95.0      16.3
      96.0       1.1
     104.0       7.8
     105.0      13.6
     106.0       7.5
     107.0      14.0
     108.0      18.4
     109.0       9.1
     118.0       2.2
     119.0       8.1
     120.0      18.6
     121.0      10.6
     122.0      11.0
     123.0      14.1
     124.0       2.5
     133.0       8.9
     134.0       1.2
     135.0       6.0
     136.0      12.6
     137.0      13.3
     138.0       2.6
     147.0       2.4
     148.0      27.8
     149.0      13.0
     150.0       3.9
     151.0      27.0
     152.0       2.5
     165.0      13.4
     166.0     100.0
     167.0      10.9
     168.0       1.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₀ O₃	0.044 g : 0.5 ml CDCl₃
2,3-dimethoxybenzaldehyde

    Assign.     Shift(ppm)

      A            10.43
      B             7.40
      C             7.15
      D             7.10
      E             3.988
      F             3.907

     Hz     ppm     Int.

    934.42  10.434    115
    933.91  10.428    125
    668.85   7.469     43
    664.82   7.424     29
    663.28   7.406     50
    659.33   7.362     86
    641.31   7.161    158
    637.57   7.119     61
    636.04   7.102     52
    635.38   7.095     52
    357.13   3.988   1000
    355.66   3.972     32
    355.22   3.967     30
    349.88   3.907    656
    348.05   3.887     35

in CDCl3