59665-02-0

N-[(N-亞硝基甲氨基)甲基]苯甲酰胺(59665-02-0)紅外圖譜(IR2)

產(chǎn)品名稱:N-[(N-亞硝基甲氨基)甲基]苯甲酰胺

CAS:59665-02-0

分子式:C9H11N3O2

分子量: 193.2

InChI:InChI=1S/C9H11N3O2/c1-12(11-14)7-10-9(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,13)

InChIKey: ISJYDRMADFXOGD-UHFFFAOYSA-N

Smiles:C(NCN(C)N=O)(=O)C1=CC=CC=C1

Mass

MS-NW-6330          
N-((methylnitrosoamino)methyl)benzamide
C9H11N3O2           (Mass of molecular ion:    193)

   Source Temperature: 160 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      13.0       1.1
      14.0       3.5
      15.0       2.3
      17.0       1.3
      18.0       6.2
      27.0       2.2
      28.0       4.7
      29.0       1.1
      30.0       2.0
      37.0       1.1
      38.0       1.7
      39.0       1.5
      42.0      11.9
      43.0       1.9
      50.0       8.8
      51.0      22.4
      52.0       1.5
      52.5       1.4
      60.0       2.1
      74.0       3.0
      75.0       2.1
      76.0       3.4
      77.0      59.3
      78.0       4.4
     103.0       1.4
     105.0     100.0
     106.0       8.2
     121.0       2.0
     133.0       2.6
     134.0      16.0
     135.0       1.6

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₁ N₃ O₂	0.053 g : 0.5 ml CDCl₃
N-((methylnitrosoamino)methyl)benzamide

    Assign.     Shift(ppm)

      A             8.10
      B     *1      7.939
      C     *1      7.777
      D             7.55
      E             7.46
      F     *2      5.800
      G     *2      5.033
      J     *3      3.954
      K     *3      3.133
     
     90MHZ : HSP-03-084

     Hz     ppm     Int.

   3238.65   8.104     34
   3177.12   7.950    123
   3176.03   7.948    140
   3170.90   7.935     49
   3168.95   7.930    168
   3167.48   7.926    128
   3024.17   7.568     36
   3016.97   7.550     91
   3014.89   7.544     32
   3010.62   7.534     46
   3009.40   7.531     75
   3008.06   7.527     43
   2989.38   7.480     31
   2987.55   7.476    120
   2986.21   7.473     56
   2981.08   7.460    100
   2979.86   7.457    174
   2974.24   7.443     36
   2972.66   7.439     74
   2971.80   7.437     49
   2321.17   5.809    268
   2314.45   5.792    261
   1580.20   3.954     50
   1251.59   3.132   1000

¹H NMR	89.56 MHz
C₉ H₁₁ N₃ O₂	0.046 g : 0.5 ml CDCl₃
N-((methylnitrosoamino)methyl)benzamide

    Assign.     Shift(ppm)

      A             8.13
      B     *1      7.93
      C     *1      7.78
      D          7.57 to 7.36
      E             5.795
      F             5.030
      G             3.939
      J             3.120
     
     400MHZ : HSP-41-739

     Hz     ppm     Int.

    715.06   7.985     74
    713.38   7.966     80
    711.56   7.946     40
    710.56   7.934     33
    709.75   7.925     32
    707.81   7.904     63
    706.63   7.891     33
    705.44   7.877    103
    676.19   7.551     35
    674.38   7.530     32
    672.94   7.514     79
    671.88   7.503    147
    670.94   7.492    137
    669.63   7.477     88
    668.56   7.465     81
    666.13   7.438     49
    665.06   7.426     50
    664.44   7.419     70
    664.06   7.415     66
    522.25   5.832    184
    515.56   5.757    173
    453.81   5.068     46
    447.19   4.994     44
    352.81   3.940    217
    279.50   3.121   1000

in CDCl3