586-38-9

3-甲氧基苯甲酸(586-38-9)質(zhì)譜(MS)

產(chǎn)品名稱:3-甲氧基苯甲酸

CAS:586-38-9

分子式:C8H8O3

分子量: 152.15

InChI:InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)

InChIKey: XHQZJYCNDZAGLW-UHFFFAOYSA-N

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

Mass

MS-NW-6184          
m-anisic acid
C8H8O3              (Mass of molecular ion:    152)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.6
      18.0       2.5
      27.0       2.8
      29.0       1.2
      37.0       1.7
      38.0       4.5
      39.0       6.8
      44.0       1.3
      45.0       2.0
      50.0       5.4
      51.0       3.9
      52.0       1.4
      53.0       5.1
      55.0       1.0
      61.0       1.2
      62.0       2.7
      63.0       9.9
      64.0       9.0
      65.0      10.1
      66.0       1.3
      74.0       2.5
      75.0       2.5
      76.0       3.8
      77.0      16.2
      78.0       4.0
      79.0       4.6
      81.0      11.2
      92.0       9.9
      93.0       1.9
      94.0       1.1
     104.0       1.2
     105.0      12.0
     106.0       1.8
     107.0      15.8
     108.0       2.0
     109.0       3.1
     119.0       1.1
     121.0       1.4
     122.0       4.0
     123.0       1.0
     135.0      33.0
     136.0       3.2
     137.0       2.9
     151.0       4.7
     152.0     100.0
     153.0       9.1
     154.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₈ O₃	0.042 g : 0.5 ml CDCl₃
m-anisic acid

    Assign.     Shift(ppm)

      A            12.71
      B             7.718
      C             7.63
      D             7.364
      E             7.157
      F             3.855

     Hz     ppm     Int.

   1138.70  12.715    103
    697.27   7.786     32
    695.81   7.770     70
    694.45   7.755     47
    689.92   7.704     45
    688.46   7.688    107
    687.10   7.672     78
    684.88   7.648     72
    683.85   7.636     53
    682.31   7.619     79
    681.29   7.608     57
    668.38   7.463     46
    667.87   7.458     48
    660.27   7.373     99
    659.75   7.367     86
    652.92   7.291     65
    652.32   7.284     63
    645.48   7.208     64
    644.12   7.193     72
    642.83   7.178     61
    641.55   7.164     61
    637.28   7.116     32
    634.63   7.087     31
    345.21   3.855   1000

in CDCl3