3682-35-7

2,4,6-三(2-吡啶基)三嗪(3682-35-7)质谱(MS)

产品名称:2,4,6-三(2-吡啶基)三嗪

CAS:3682-35-7

分子式:C18H12N6

分子量: 312.33

InChI:InChI=1S/C18H12N6/c1-4-10-19-13(7-1)16-22-17(14-8-2-5-11-20-14)24-18(23-16)15-9-3-6-12-21-15/h1-12H

InChIKey: KMVWNDHKTPHDMT-UHFFFAOYSA-N

Smiles:N1=C(C2=NC=CC=C2)N=C(C2=NC=CC=C2)N=C1C1=NC=CC=C1

Mass

MS-NW-8768          
2,4,6-tri(2-pyridyl)-1,3,5-triazine
C18H12N6            (Mass of molecular ion:    312)

   Source Temperature: 230 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      27.0       1.1
      28.0       1.2
      50.0       3.9
      51.0       7.3
      52.0       3.8
      53.0       2.2
      64.0       1.3
      76.0       3.6
      77.0      22.7
      78.0      23.1
      79.0       9.5
     103.0       1.6
     104.0      37.2
     105.0     100.0
     106.0       7.2
     130.0       1.5
     156.0       1.9
     207.0       6.9
     208.0      13.1
     209.0       1.9
     311.0       2.7
     312.0      60.3
     313.0      14.0
     314.0       1.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₈ H₁₂ N₆	0.048 g : 0.5 ml CDCl₃
2,4,6-tri(2-pyridyl)-1,3,5-triazine

    Assign.     Shift(ppm)

      A             8.95
      B             8.86
      C             7.96
      D             7.55

     Hz     ppm     Int.

    805.69   8.997    485
    804.81   8.987    640
    803.88   8.976    648
    803.00   8.967    640
    801.00   8.944    518
    800.13   8.935    779
    799.13   8.923    802
    798.63   8.918   1000
    798.31   8.914   1000
    797.69   8.907    897
    797.38   8.904    910
    796.44   8.893    511
    790.75   8.830    730
    789.81   8.819    969
    788.63   8.806    620
    722.25   8.065    487
    720.44   8.045    515
    714.63   7.980    921
    712.75   7.959    878
    706.81   7.893    613
    704.94   7.872    573
    682.06   7.616    680
    680.75   7.602    705
    677.38   7.564    604
    676.06   7.549    659
    674.50   7.532    504
    673.19   7.517    456
    669.75   7.479    457
    668.50   7.465    428

in CDCl3