1210-66-8

N-苯基-N-(9H-嘌呤-6-基)胺(1210-66-8)紅外圖譜(IR1)

產品名稱:N-苯基-N-(9H-嘌呤-6-基)胺

CAS:1210-66-8

分子式:C11H9N5

分子量: 211.22

InChI:InChI=1S/C11H9N5/c1-2-4-8(5-3-1)16-11-9-10(13-6-12-9)14-7-15-11/h1-7H,(H2,12,13,14,15,16)

InChIKey: WCZNSRQVTJYMRQ-UHFFFAOYSA-N

Smiles:N1C2C(=NC=NC=2NC2=CC=CC=C2)NC=1

Mass

MS-NW-7135          
6-anilinopurine
C11H9N5             (Mass of molecular ion:    211)

   Source Temperature: 200 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      18.0       4.2
      27.0       1.2
      28.0       8.8
      29.0       1.5
      38.0       1.6
      39.0       3.9
      40.0       1.5
      50.0       2.3
      51.0       7.7
      52.0       1.7
      53.0       2.0
      54.0       1.3
      63.0       1.5
      64.0       1.5
      65.0       6.1
      66.0       3.5
      67.0       1.3
      76.0       2.1
      77.0      14.2
      78.0       1.9
      78.5       1.5
      91.0       1.2
      92.0       7.9
      93.0       3.5
     102.0       1.5
     103.0       3.6
     104.0       3.4
     105.0       1.4
     105.5       5.3
     108.0       1.0
     115.0       1.8
     119.0       3.1
     129.0       2.6
     131.0       1.2
     142.0       1.3
     156.0       4.8
     157.0       2.6
     183.0       3.2
     184.0       1.1
     209.0       1.1
     210.0     100.0
     211.0      65.3
     212.0       8.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₁ H₉ N₅	0.038 g : 0.5 ml DMSO-d₆
6-anilinopurine

    Assign.     Shift(ppm)

      A     *1     13.1
      B     *1      9.8
      C             8.419
      D             8.317
      E             7.99
      F             7.349
      G             7.046

     Hz     ppm     Int.

   3906.15   9.774    149
   3905.72   9.773    149
   3364.88   8.420   1000
   3324.28   8.318    803
   3197.57   8.001    407
   3189.88   7.982    428
   2947.34   7.375     60
   2945.42   7.371    356
   2943.50   7.366    134
   2937.94   7.352    493
   2936.87   7.349    480
   2931.32   7.335    145
   2929.40   7.330    389
   2927.47   7.326     70
   2824.26   7.067    107
   2823.19   7.065    194
   2821.91   7.061    129
   2815.72   7.046    350
   2809.52   7.030     98
   2808.45   7.028    166
   2807.38   7.025    100

DMSO-d6