635-90-5

1-苯基吡咯(635-90-5)紅外圖譜(IR2)

產品名稱: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

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

¹H NMR	399.65 MHz
C₁₀ H₉ N	0.031 g : 0.5 ml CDCl₃
1-phenylpyrrole

    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

¹H NMR	89.56 MHz
C₁₀ H₉ N	0.047 g : 0.5 ml CDCl₃
1-phenylpyrrole

    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