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返回ChemicalBook首页>CAS数据库列表>41105-35-5更多图谱> 1-氯-9,10-二苯乙炔基蒽(41105-35-5)红外图谱(IR2)

41105-35-5

1-氯-9,10-二苯乙炔基蒽(41105-35-5)红外图谱(IR2)

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

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    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

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

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KBr disc

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nujol mull

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