13104-56-8

4'-(4-甲氧基苯基)-2,2':6',2''-三吡啶(13104-56-8)红外图谱(IR1)

产品名称:4'-(4-甲氧基苯基)-2,2':6',2''-三吡啶

CAS:13104-56-8

分子式:C22H17N3O

分子量: 339.39

InChI:InChI=1S/C22H17N3O/c1-26-18-10-8-16(9-11-18)17-14-21(19-6-2-4-12-23-19)25-22(15-17)20-7-3-5-13-24-20/h2-15H,1H3

InChIKey: QAEWAYWLMREGRA-UHFFFAOYSA-N

Smiles:C1(C2=NC(C3=NC=CC=C3)=CC(C3=CC=C(OC)C=C3)=C2)=NC=CC=C1

Mass

MS-NW-6975          
4-(p-methoxyphenyl)-2,6-di(2-pyridyl)pyridine
C22H17N3O           (Mass of molecular ion:    339)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      18.0       1.5
      51.0       2.8
      52.0       1.0
      63.0       1.2
      78.0       5.2
      79.0       1.2
      89.0       1.1
      95.5       1.1
     134.0       1.4
     134.5       1.0
     135.0       1.3
     140.0       1.0
     147.0       1.6
     147.5       2.7
     148.0       5.1
     148.5       1.4
     153.5       1.5
     162.0       1.6
     164.0       1.0
     169.5       6.0
     170.0       1.7
     190.0       1.7
     191.0       3.2
     192.0       1.6
     216.0       1.4
     217.0       2.0
     218.0       4.1
     219.0       1.1
     234.0       2.2
     246.0       1.2
     261.0       7.3
     262.0       1.5
     267.0       1.0
     268.0       2.6
     269.0       1.4
     294.0       2.3
     295.0       5.6
     296.0       7.2
     297.0       2.2
     308.0       3.7
     309.0       2.1
     310.0       1.1
     311.0       2.7
     323.0       1.2
     324.0      14.3
     325.0       3.7
     338.0       7.6
     339.0     100.0
     340.0      24.9
     341.0       3.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₂₂ H₁₇ N₃ O	0.033 g : 0.5 ml CDCl₃
4-(p-methoxyphenyl)-2,6-di(2-pyridyl)pyridine

    Assign.     Shift(ppm)

      A             8.66
      B             8.66
      C             8.60
      D             7.82
      E             7.81
      F             7.27
      G             6.973
      J             3.809

     Hz     ppm     Int.

    779.50   8.704    135
    778.56   8.694    142
    777.63   8.683    158
    775.31   8.657    845
    767.75   8.573    148
    766.75   8.562    193
    765.75   8.551    125
    760.88   8.496     31
    707.25   7.897    104
    705.13   7.874    239
    702.88   7.849     84
    699.69   7.813    170
    697.81   7.792    190
    696.13   7.773    259
    693.06   7.739     62
    691.94   7.726    107
    690.00   7.705    102
    657.88   7.346    107
    656.50   7.331     99
    653.19   7.294     97
    651.81   7.278    112
    650.38   7.262     94
    649.13   7.248     85
    644.38   7.195     78
    631.44   7.051     37
    628.44   7.017    230
    626.25   6.993     69
    621.63   6.941     69
    619.50   6.918    179
    341.19   3.810   1000

in CDCl3