613-45-6

2,4-二甲氧基苯甲醛(613-45-6)Raman光譜

產(chǎn)品名稱:2,4-二甲氧基苯甲醛

CAS:613-45-6

分子式:C9H10O3

分子量: 166.17

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

InChIKey: LWRSYTXEQUUTKW-UHFFFAOYSA-N

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

Mass

MS-NW-3808          
2,4-dimethoxybenzaldehyde
C9H10O3             (Mass of molecular ion:    166)

   Source Temperature: 270 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       7.9
      26.0       1.6
      27.0       2.1
      28.0       2.6
      29.0       4.9
      31.0       1.0
      37.0       2.4
      38.0       6.2
      39.0      10.4
      41.0       6.0
      43.0       1.2
      49.0       1.0
      50.0       7.1
      51.0      12.8
      52.0       8.7
      53.0       5.6
      55.0       1.8
      59.0       1.6
      61.0       2.3
      62.0       6.2
      63.0      23.4
      64.0      10.8
      65.0       9.7
      66.0       2.6
      67.0       1.6
      69.0       4.3
      74.0       2.8
      75.0       3.2
      76.0       2.8
      77.0      18.8
      78.0       5.7
      79.0      10.5
      80.0       4.7
      90.0       1.1
      91.0       3.9
      92.0      11.0
      93.0       3.2
      94.0       4.6
      95.0       8.5
     105.0       3.2
     106.0      23.0
     107.0      14.5
     108.0       5.6
     109.0      10.0
     119.0       1.5
     120.0      23.4
     121.0      22.1
     122.0      20.1
     123.0       3.1
     124.0       3.5
     134.0      10.3
     135.0      28.0
     136.0       3.7
     137.0       9.0
     138.0       1.6
     148.0      23.6
     149.0      52.0
     150.0      11.3
     151.0       7.3
     165.0      77.9
     166.0     100.0
     167.0      10.3
     168.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₀ O₃	0.069 g : 0.5 ml CDCl₃
2,4-dimethoxybenzaldehyde

    Assign.     Shift(ppm)

      A            10.280
      B             7.787
      C             6.529
      D             6.440
      E     *1      3.889
      F     *1      3.864

     Hz     ppm     Int.

    921.02  10.284    223
    920.29  10.276    200
    702.03   7.839    112
    693.46   7.743    125
    590.84   6.598     49
    590.19   6.590     51
    588.65   6.573     65
    587.92   6.565     61
    582.28   6.502     36
    581.69   6.495     37
    580.08   6.478     82
    579.42   6.470     86
    577.51   6.449    149
    575.39   6.425     82
    348.41   3.891    906
    346.14   3.865   1000
    339.55   3.792     23

in CDCl3