2-甲氧基苯甲酸甲酯(606-45-1)質(zhì)譜(MS)

產(chǎn)品名稱:2-甲氧基苯甲酸甲酯

CAS:606-45-1

分子式:C9H10O3

分子量: 166.17

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

InChIKey: PFYHAAAQPNMZHO-UHFFFAOYSA-N

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

Mass

MS-NW-3409          
methyl o-methoxybenzoate
C9H10O3             (Mass of molecular ion:    166)

   Source Temperature: 300 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       3.8
      29.0       2.3
      37.0       1.5
      38.0       4.1
      39.0       3.4
      45.0       1.7
      50.0       6.4
      51.0       8.5
      52.0       1.6
      53.0       2.3
      59.0       1.5
      61.0       1.3
      62.0       3.1
      63.0      12.0
      64.0      10.7
      65.0       2.5
      74.0       2.6
      75.0       2.0
      76.0       5.2
      77.0      42.4
      78.0       4.6
      79.0       4.5
      91.0       2.8
      92.0      22.9
      93.0       2.5
      95.0       1.4
     104.0       1.6
     105.0      16.2
     106.0       2.6
     107.0       2.6
     120.0       4.4
     121.0       2.5
     133.0      34.3
     134.0       7.2
     135.0     100.0
     136.0       9.0
     137.0       8.4
     149.0       1.1
     151.0       2.2
     166.0      30.7
     167.0       3.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₀ O₃	0.04 ml : 0.5 ml CDCl₃
methyl o-methoxybenzoate

    Assign.     Shift(ppm)

      A             7.78
      B             7.44
      C             6.97
      D             6.97
      E     *1      3.89
      F     *1      3.88

     Hz     ppm     Int.

    702.25   7.842     59
    700.38   7.821     52
    700.00   7.816     43
    694.25   7.752     70
    692.75   7.736     60
    692.31   7.731     49
    669.00   7.470     38
    668.44   7.464     36
    666.19   7.439     31
    660.88   7.380     44
    659.00   7.359     38
    630.31   7.038     61
    628.13   7.014     59
    627.00   7.001     52
    623.88   6.967     53
    623.38   6.961     60
    622.75   6.954     46
    619.63   6.919     37
    618.56   6.907     33
    616.25   6.881     32
    347.81   3.884    770
    347.38   3.879   1000

in CDCl3