41105-35-5

1-氯-9,10-二苯乙炔基蒽(41105-35-5)質(zhì)譜(MS)

分子式:C30H17Cl

分子量: 412.91

InChI:InChI=1S/C30H17Cl/c31-29-17-9-16-27-26(20-18-22-10-3-1-4-11-22)24-14-7-8-15-25(24)28(30(27)29)21-19-23-12-5-2-6-13-23/h1-17H

InChIKey: IMMCAKJISYGPDQ-UHFFFAOYSA-N

Smiles:C1(Cl)=C2C(C(C#CC3=CC=CC=C3)=C3C(=C2C#CC2=CC=CC=C2)C=CC=C3)=CC=C1

Mass

MS-NW-8024          
1-chloro-9,10-bis(phenylethynyl)anthracene
C30H17Cl            (Mass of molecular ion:    412)

   Source Temperature: 210 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      18.0       1.1
     148.0       1.4
     149.0       1.8
     150.0       1.0
     154.5       1.1
     160.0       1.4
     161.0       3.6
     161.5       1.7
     162.0       3.7
     162.5       1.0
     166.5       1.0
     167.0       1.0
     167.5       2.3
     168.0       1.0
     168.5       1.0
     173.0       3.0
     173.5       1.6
     174.0       5.4
     174.5       1.8
     175.0       3.8
     175.5       1.2
     180.5       1.7
     185.0       1.1
     186.0       5.4
     186.5       2.7
     187.0      15.6
     187.5       7.0
     188.0       6.4
     188.5       1.9
     206.0      22.3
     206.5       7.3
     207.0       8.4
     207.5       2.6
     298.0       1.8
     299.0       1.0
     300.0       3.7
     301.0       1.0
     322.0       1.0
     346.0       1.2
     348.0       2.0
     350.0       1.9
     372.0       4.9
     373.0       2.5
     374.0      16.3
     375.0       7.9
     376.0      13.9
     377.0       4.7
     378.0       3.2
     379.0       1.1
     410.0       1.6
     411.0       1.1
     412.0     100.0
     413.0      33.9
     414.0      37.8
     415.0      11.2
     416.0       1.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₃₀ H₁₇ Cl	0.029 g : 0.5 ml CDCl₃
1-chloro-9,10-bis(phenylethynyl)anthracene

    Assign.     Shift(ppm)

      A     *1      8.833
      B             8.621
      C     *1      8.589
      D             7.72
      E             7.61
      F             7.42
      G             7.39

     Hz     ppm     Int.

   3538.82   8.855     34
   3534.79   8.845    225
   3532.71   8.840    234
   3528.44   8.829    147
   3525.27   8.821    255
   3522.09   8.813     49
   3450.56   8.634    332
   3449.58   8.632    336
   3441.89   8.613    360
   3440.80   8.610    357
   3436.89   8.600    254
   3433.59   8.592    152
   3429.57   8.582    241
   3427.37   8.576    242
   3423.46   8.567     42
   3092.41   7.738    494
   3088.62   7.729    711
   3086.91   7.725    764
   3084.59   7.719    742
   3082.76   7.714    686
   3080.57   7.709    681
   3079.22   7.705    555
   3076.78   7.699    125
   3054.08   7.642    127
   3049.44   7.631    585
   3048.34   7.628    503
   3045.41   7.621    375
   3042.36   7.613    951
   3039.18   7.605    388
   3037.35   7.601    286
   3035.64   7.596    288
   3030.76   7.584    119
   2979.49   7.456    128
   2976.93   7.449    243
   2975.71   7.446    300
   2974.61   7.444    332
   2973.14   7.440    276
   2970.46   7.433    712
   2968.51   7.428    882
   2966.55   7.423    755
   2964.23   7.418    986
   2963.26   7.415   1000
   2960.69   7.409    852
   2958.62   7.404    934
   2954.71   7.394    207
   2951.42   7.386    567
   2950.20   7.382    425
   2942.87   7.364    297

in CDCl3