14337-53-2

2-(5-溴-2-吡啶偶氮)-5-二乙氨基酚(14337-53-2)質譜(MS)

產品名稱:2-(5-溴-2-吡啶偶氮)-5-二乙氨基酚

CAS:14337-53-2

分子式:C15H17BrN4O

分子量: 349.23

InChI:InChI=1S/C15H17BrN4O/c1-3-20(4-2)12-6-7-13(14(21)9-12)18-19-15-8-5-11(16)10-17-15/h5-10,21H,3-4H2,1-2H3

InChIKey: HNVCXDAVEHOIBP-UHFFFAOYSA-N

Smiles:C1(O)=CC(N(CC)CC)=CC=C1N=NC1=NC=C(Br)C=C1

¹HNMR

IR1

IR2

Mass

MS-IW-0691          
2-(5-bromo-2-pyridylazo)-5-(diethylamino)phenol
C15H17BrN4O         (Mass of molecular ion:    348)

   Source Temperature: 200 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      27.0       1.8
      28.0       4.0
      29.0       5.8
      39.0       2.7
      41.0       1.8
      42.0       2.8
      44.0       1.6
      50.0       1.5
      51.0       2.3
      52.0       3.1
      53.0       2.9
      54.0       1.4
      55.0       1.8
      56.0       3.4
      63.0       1.3
      64.0       2.1
      65.0       5.3
      66.0       5.0
      67.0       2.1
      68.0       2.0
      72.0       1.0
      76.0       3.2
      77.0       3.7
      78.0       4.4
      79.0       5.8
      80.0       4.3
      81.0       2.5
      82.0       1.0
      91.0       3.2
      92.0       5.7
      93.0       5.8
      94.0       4.0
      95.0       1.9
     105.0       1.1
     106.0       5.4
     107.0       4.9
     108.0      14.8
     109.0       2.9
     110.0       1.0
     118.0       1.3
     119.0       2.2
     120.0       7.9
     121.0       4.0
     122.0       2.7
     123.0       1.2
     132.0       1.1
     133.0       1.5
     134.0       4.8
     135.0      19.1
     136.0      28.7
     137.0       3.5
     145.0       1.9
     146.0       2.6
     147.0       3.9
     148.0       5.3
     149.0      16.2
     150.0       4.8
     156.0       1.2
     158.0       1.5
     160.0       1.4
     161.0       1.5
     162.0       1.4
     163.0       2.8
     164.0     100.0
     165.0      19.1
     166.0       1.7
     172.0       6.3
     174.0       6.2
     177.0       1.4
     178.0       1.4
     180.0       5.1
     192.0       7.7
     193.0       1.0
     248.0       1.2
     249.0       1.8
     250.0       2.4
     251.0       1.6
     252.0       1.3
     263.0       1.0
     275.0       1.0
     276.0       1.9
     277.0       8.6
     278.0       3.0
     279.0       7.6
     280.0       1.1
     291.0      16.9
     292.0       4.1
     293.0      16.7
     294.0       3.8
     305.0      13.8
     306.0       2.5
     307.0      13.6
     308.0       2.2
     319.0      16.6
     320.0      27.8
     321.0      20.4
     322.0      27.2
     323.0       4.4
     333.0       3.6
     335.0       3.6
     348.0      33.8
     349.0       7.2
     350.0      33.1
     351.0       6.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅ H₁₇ Br N₄ O	0.033 g : 0.5 ml CDCl₃
2-(5-bromo-2-pyridylazo)-5-(diethylamino)phenol

    Assign.     Shift(ppm)

      A            15.8
      B             8.487
      C             7.807
      D             7.519
      E             7.233
      F             6.456
      G             5.867
      J             3.445
      K             1.250

     Hz     ppm     Int.

   6324.46  15.826     61
   3393.55   8.492    163
   3393.07   8.491    159
   3391.11   8.486    177
   3390.63   8.484    158
   3126.22   7.823    134
   3123.78   7.817    131
   3117.43   7.801    155
   3114.99   7.795    151
   3009.52   7.531    184
   3008.79   7.529    180
   3000.73   7.509    169
   3000.00   7.507    155
   2895.75   7.246    179
   2886.23   7.222    191
   2586.43   6.472    104
   2583.74   6.466    107
   2576.66   6.448     99
   2573.97   6.441    103
   2346.19   5.871    178
   2343.51   5.864    178
   1387.94   3.473    119
   1380.86   3.456    395
   1373.78   3.438    405
   1366.70   3.420    132
    507.08   1.269    464
    500.00   1.252   1000
    492.68   1.233    462

KBr disc