1606-67-3

1-氨基芘(1606-67-3)紅外圖譜(IR1)

產(chǎn)品名稱:1-氨基芘

CAS:1606-67-3

分子式:C16H11N

分子量: 217.27

InChI:InChI=1S/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2

InChIKey: YZVWKHVRBDQPMQ-UHFFFAOYSA-N

Smiles:C1(N)=C2C3=C4C(C=C2)=CC=CC4=CC=C3C=C1

Mass

MS-IW-7287          
1-pyrenamine
C16H11N             (Mass of molecular ion:    217)

   Source Temperature: 160 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      81.0       1.1
      81.5       2.0
      93.0       1.1
      93.5       6.8
      94.0       7.0
      94.5      15.3
      95.0       5.1
      95.5       1.0
     100.0       1.0
     107.5       4.0
     108.0       1.2
     108.5      18.4
     109.0       3.4
     163.0       1.3
     165.0       1.6
     187.0       4.4
     188.0       4.0
     189.0      20.7
     190.0       5.8
     200.0       1.5
     202.0       1.2
     214.0       4.0
     215.0       2.6
     216.0      16.4
     217.0     100.0
     218.0      17.6
     219.0       1.4
     223.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₆ H₁₁ N	0.038 g : 0.5 ml CDCl₃
1-pyrenamine

    Assign.     Shift(ppm)

      A             8.01
      B             7.98
      C             7.908
      D             7.893
      E             7.875
      F             7.860
      G             7.828
      J             7.771
      K             7.258
      L             4.27
     
     ASSIGNED BY C-H COSY

     Hz     ppm     Int.

   3205.32   8.021    293
   3204.47   8.019    312
   3196.66   7.999    627
   3188.72   7.979    424
   3177.86   7.952     30
   3177.00   7.950     31
   3176.64   7.949     32
   3176.15   7.948     32
   3175.54   7.946     32
   3174.93   7.945     31
   3173.95   7.942     34
   3172.24   7.938     44
   3171.75   7.937     43
   3170.90   7.935     45
   3164.79   7.919    604
   3160.28   7.908    463
   3156.62   7.899    678
   3154.42   7.893    688
   3151.00   7.885    790
   3146.85   7.875   1000
   3143.07   7.865     82
   3139.28   7.856    423
   3137.08   7.850    756
   3134.64   7.844     96
   3131.71   7.837    892
   3127.69   7.827     41
   3127.08   7.825     41
   3126.83   7.824     41
   3122.44   7.813    479
   3119.51   7.806     33
   3109.13   7.780    643
   3104.49   7.769     34
   3100.22   7.758    402
   2908.45   7.278     35
   2904.54   7.268    857
   2900.15   7.257     38
   2896.48   7.248    819
   1706.54   4.271     66

in CDCl3