4733-39-5

2,9-二甲基-4,7二苯基-1,10-菲啰啉(4733-39-5)质谱(MS)

分子式:C26H20N2

分子量: 360.45

InChI:InChI=1S/C26H20N2/c1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17/h3-16H,1-2H3

InChIKey: STTGYIUESPWXOW-UHFFFAOYSA-N

Smiles:N1C2C(=CC=C3C=2N=C(C)C=C3C2=CC=CC=C2)C(C2=CC=CC=C2)=CC=1C

Mass

MS-NW-2370          
2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline
C26H20N2            (Mass of molecular ion:    360)

   Source Temperature: 250 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      17.0       1.3
      18.0       6.9
      28.0       1.3
      39.0       1.4
      51.0       2.3
      52.0       1.1
      63.0       1.1
      77.0       2.7
      78.0       5.0
     108.5       1.1
     109.0       1.1
     115.0       1.3
     125.0       1.0
     126.0       1.0
     128.0       1.0
     129.0       1.7
     131.5       1.0
     137.0       1.0
     138.0       1.6
     139.0       1.2
     140.0       1.0
     144.5       1.4
     145.5       1.0
     150.0       1.0
     151.0       2.5
     151.5       1.4
     152.0       2.2
     152.5       1.0
     153.0       1.0
     157.5       2.4
     158.0       2.3
     158.5       2.1
     159.0       2.3
     159.5       1.3
     164.0       1.6
     164.5       1.8
     165.0       2.4
     170.5       1.1
     171.0       2.4
     171.5       3.0
     172.0       5.1
     172.5       2.0
     177.0       1.0
     178.0       2.2
     178.5       1.9
     179.0       2.1
     180.0       8.6
     180.5       2.3
     189.0       1.3
     214.0       1.2
     216.0       1.1
     240.0       1.1
     241.0       1.0
     257.0       1.0
     258.0       1.5
     282.0       1.2
     283.0       1.8
     284.0       2.0
     315.0       1.0
     316.0       1.1
     317.0       1.3
     318.0       1.2
     319.0       1.2
     343.0       1.8
     344.0       1.2
     345.0       2.0
     356.0       1.3
     357.0       2.9
     358.0       5.4
     359.0      15.7
     360.0     100.0
     361.0      28.3
     362.0       4.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₆ H₂₀ N₂	0.027 g : 0.5 ml CDCl₃
2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline

    Assign.     Shift(ppm)

      A             7.751
      B             7.51
      C             7.51
      D             7.48
      E             7.450
      F             2.996
     
     B,C AND D WERE CONFIRMED BY LAOCN PROGRAM.

     Hz     ppm     Int.

   3097.90   7.752    472
   3009.52   7.531     43
   3008.18   7.528     48
   3005.74   7.521    242
   3005.25   7.520    221
   3004.76   7.519    264
   3004.03   7.517    252
   3001.22   7.510    357
   3000.37   7.508    378
   2997.80   7.502     64
   2996.70   7.499     55
   2996.09   7.497     58
   2995.00   7.495     50
   2992.55   7.488    105
   2991.70   7.486     71
   2989.62   7.481     75
   2988.65   7.479     99
   2985.47   7.471     47
   2984.01   7.467     61
   2981.69   7.461     34
   2979.37   7.455     40
   2977.42   7.451    382
   1197.63   2.997   1000

in CDCl3