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635-90-5

1-苯基吡咯(635-90-5)红外图谱(IR2)

产品名称:1-苯基吡咯

CAS:635-90-5

分子式:C10H9N

分子量: 143.19

InChI:InChI=1S/C10H9N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-9H

InChIKey: GEZGAZKEOUKLBR-UHFFFAOYSA-N

Smiles:N1(C2=CC=CC=C2)C=CC=C1

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    Mass

    MS-NW-6787          
    1-phenylpyrrole
    C10H9N              (Mass of molecular ion:    143)
    

       Source Temperature: 250 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          27.0       1.3
          28.0       1.3
          38.0       1.7
          39.0       6.1
          40.0       1.2
          41.0       1.0
          50.0       4.0
          51.0      12.5
          52.0       1.5
          58.5       2.3
          63.0       2.4
          64.0       1.1
          65.0       1.3
          70.5       1.1
          71.5       3.0
          74.0       1.2
          75.0       1.1
          76.0       1.4
          77.0      12.4
          78.0       1.2
          89.0       3.3
          90.0       2.9
         103.0       1.5
         104.0       5.2
         114.0       1.2
         115.0      40.8
         116.0      19.0
         117.0       7.3
         141.0       1.4
         142.0       7.0
         143.0     100.0
         144.0      11.6
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C10 H9 N 0.031 g : 0.5 ml CDCl3
    1-phenylpyrrole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.40 B 7.38 C 7.223 D 7.082 E 6.345

         Hz     ppm     Int.
    

       2968.26   7.428     50
       2967.16   7.425    121
       2966.80   7.424    139
       2965.94   7.422     96
       2964.72   7.419     98
       2960.69   7.409    192
       2959.84   7.407    109
       2958.86   7.404    264
       2958.25   7.403    719
       2957.03   7.400    219
       2954.96   7.394    114
       2953.49   7.391    251
       2952.15   7.387    801
       2951.66   7.386    956
       2950.20   7.382   1000
       2947.14   7.375     79
       2945.92   7.372    106
       2944.95   7.369    100
       2943.73   7.366    212
       2942.63   7.364     84
       2941.53   7.361     68
       2895.26   7.245    145
       2893.31   7.240    169
       2890.87   7.234     95
       2889.16   7.230    134
       2888.67   7.229    131
       2887.33   7.225    127
       2886.72   7.224    214
       2886.11   7.222    134
       2885.25   7.220    122
       2884.28   7.218     94
       2882.69   7.214    109
       2880.13   7.207    155
       2878.05   7.202    103
       2836.18   7.097     39
       2832.64   7.088    722
       2830.44   7.083    875
       2828.13   7.077    750
       2541.50   6.360     38
       2537.84   6.351    658
       2535.64   6.345    828
       2533.45   6.340    661
    

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    1H NMR 89.56 MHz
    C10 H9 N 0.047 g : 0.5 ml CDCl3
    1-phenylpyrrole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.39 B 7.37 C 7.21 D 7.070 E 6.335 A,B AND C WERE CONFIRMED BY LAOCN PROGRAM.

         Hz     ppm     Int.
    

        664.38   7.419    116
        663.75   7.412    152
        663.06   7.404    167
        662.50   7.398    180
        661.13   7.382    112
        659.19   7.361   1000
        656.75   7.334     89
        654.94   7.313     47
        654.38   7.307     38
        653.50   7.297     32
        652.50   7.286    111
        649.81   7.256     79
        648.31   7.239     60
        647.88   7.235     44
        646.88   7.223     42
        645.50   7.208     43
        643.94   7.191     63
        642.88   7.179     34
        635.50   7.096    280
        633.38   7.073    373
        631.06   7.047    327
        569.63   6.361    271
        567.38   6.336    342
        565.19   6.311    253
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,200 M,powder

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