鄰甲氧基苯甲醛(135-02-4)質(zhì)譜(MS)

產(chǎn)品名稱:鄰甲氧基苯甲醛

CAS:135-02-4

分子式:C8H8O2

分子量: 136.15

InChI:InChI=1S/C8H8O2/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3

InChIKey: PKZJLOCLABXVMC-UHFFFAOYSA-N

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

Mass

MS-NW-0753          
o-methoxybenzaldehyde
C8H8O2              (Mass of molecular ion:    136)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.1
      17.0       2.9
      18.0      14.2
      27.0       1.8
      28.0      13.1
      29.0       3.9
      31.0       2.0
      32.0       3.2
      37.0       2.8
      38.0       6.7
      39.0      18.1
      49.0       1.1
      50.0      12.7
      51.0      15.3
      52.0       2.7
      53.0       3.5
      61.0       2.2
      62.0       5.1
      63.0      14.8
      64.0      11.1
      65.0      22.0
      66.0       1.7
      74.0       5.3
      75.0       4.0
      76.0      29.4
      77.0      56.3
      78.0      23.0
      79.0      17.2
      80.0       1.8
      81.0       1.0
      89.0       1.7
      90.0      14.7
      91.0      14.0
      92.0      22.2
      93.0       7.5
      94.0       7.8
     104.0      22.3
     105.0      17.9
     106.0       1.6
     107.0      13.1
     108.0       2.3
     109.0       2.1
     118.0      25.1
     119.0      27.4
     120.0       6.9
     121.0      14.7
     122.0       1.4
     124.0       1.7
     135.0      53.9
     136.0     100.0
     137.0       9.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₈ O₂	10.0 mol% in CDCl₃
o-methoxybenzaldehyde

    Assign.     Shift(ppm)

      A          6.88 to 7.09
      B             7.51
      C            10.445
      D             7.79
      E             3.884

     Hz     ppm     Int.

    935.81  10.449    275
    935.00  10.440    242
    703.13   7.851    113
    701.31   7.831     89
    700.88   7.826     85
    695.06   7.761    115
    693.69   7.746    104
    693.25   7.741     99
    682.63   7.623     61
    680.69   7.601     57
    675.19   7.539     87
    674.31   7.530     87
    673.63   7.522     63
    672.06   7.505     79
    666.94   7.447    118
    665.00   7.426     98
    633.63   7.075     54
    632.63   7.064     88
    631.81   7.055     88
    627.88   7.011     95
    626.81   6.999    128
    625.63   6.986    113
    624.88   6.978     91
    624.44   6.973     61
    623.88   6.967     30
    619.31   6.916     66
    618.56   6.907    116
    617.88   6.900     98
    616.75   6.887     34
    347.81   3.884   1000

in CDCl3