2-乙酰氨基苯甲醚(93-26-5)紅外圖譜(IR1)

產品名稱:2-乙酰氨基苯甲醚

CAS:93-26-5

分子式:C9H11NO2

分子量: 165.19

InChI:InChI=1S/C9H11NO2/c1-7(11)10-8-5-3-4-6-9(8)12-2/h3-6H,1-2H3,(H,10,11)

InChIKey: FGOFNVXHDGQVBG-UHFFFAOYSA-N

Smiles:C(NC1=CC=CC=C1OC)(=O)C

Mass

MS-NW-1552          
2'-methoxyacetanilide
C9H11NO2            (Mass of molecular ion:    165)

   Source Temperature: 250 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       7.4
      26.0       1.1
      27.0       2.4
      28.0       1.8
      38.0       2.3
      39.0       5.9
      41.0       2.6
      42.0       1.6
      43.0      29.0
      50.0       3.6
      51.0       9.0
      52.0      15.1
      53.0       6.8
      54.0       1.2
      62.0       1.3
      63.0       4.4
      64.0       3.0
      65.0      14.8
      66.0       2.3
      76.0       1.1
      77.0       4.1
      78.0       4.2
      79.0       3.6
      80.0      43.0
      81.0       2.7
      91.0       1.8
      92.0       8.0
      93.0       3.2
      94.0       3.9
      95.0       2.3
     106.0       1.5
     108.0     100.0
     109.0       7.7
     120.0       1.8
     122.0       1.3
     123.0      74.4
     124.0       6.2
     134.0       1.4
     165.0      48.3
     166.0       5.2

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₁ N O₂	0.042 g : 0.5 ml CDCl₃
2'-methoxyacetanilide

    Assign.     Shift(ppm)

      A             8.346
      B             7.80
      C             7.018
      D             6.940
      E             6.856
      F             3.853
      G             2.179
     
     C AND D WERE CONFIRMED BY LAOCN PROGRAM.

     Hz     ppm     Int.

   3340.45   8.359     56
   3338.87   8.355     57
   3332.52   8.339     59
   3330.93   8.335     58
   2806.88   7.024     62
   2805.30   7.020     60
   2799.07   7.004     52
   2797.36   7.000     49
   2781.37   6.960     66
   2780.88   6.959     66
   2779.91   6.956     76
   2779.42   6.955     71
   2773.32   6.940     98
   2771.97   6.936    105
   2765.87   6.921     45
   2765.38   6.920     47
   2764.40   6.918     45
   2763.92   6.916     41
   2744.38   6.867     93
   2743.04   6.864     85
   2736.33   6.847     71
   2734.99   6.844     66
   1540.16   3.854   1000
    870.97   2.180    664

¹H NMR	89.56 MHz
C₉ H₁₁ N O₂	0.035 g : 0.5 ml CDCl₃
2'-methoxyacetanilide

    Assign.     Shift(ppm)

      A             2.181
      B             3.861
      C          6.77 to 7.15
      D             7.8
      E             8.34

     Hz     ppm     Int.

    742.13   8.287     32
    632.25   7.060     40
    628.75   7.021     45
    628.44   7.017     41
    625.81   6.988    127
    625.38   6.983    132
    622.81   6.955     94
    621.63   6.941     45
    619.06   6.913     97
    617.25   6.893    100
    614.63   6.863     48
    614.13   6.858     47
    345.81   3.862   1000
    195.31   2.181    991

in CDCl3