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91-02-1

2-苯甲酰基吡啶(91-02-1)红外图谱(IR1)

产品名称:2-苯甲酰基吡啶

CAS:91-02-1

分子式:C12H9NO

分子量: 183.21

InChI:InChI=1S/C12H9NO/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9H

InChIKey: GCSHUYKULREZSJ-UHFFFAOYSA-N

Smiles:C(C1=CC=CC=C1)(C1=NC=CC=C1)=O

  • 图谱
    Mass

    MS-NW-0371          
    2-benzoylpyridine
    C12H9NO             (Mass of molecular ion:    183)
    

       Source Temperature: 120 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          27.0       3.5
          38.0       1.0
          39.0       2.2
          50.0       9.9
          51.0      35.4
          52.0       6.1
          63.0       1.5
          74.0       3.1
          75.0       2.9
          76.0       5.2
          76.5       1.2
          77.0      95.2
          77.5       1.0
          78.0      18.0
          79.0       1.5
          91.5       4.2
         102.0       1.0
         104.0       1.0
         105.0     100.0
         106.0       8.1
         126.0       1.2
         127.0       4.9
         128.0       2.9
         153.0       1.8
         154.0      28.1
         155.0      94.5
         156.0      11.5
         182.0      59.8
         183.0      71.1
         184.0       9.4
    

90 MHz in CDCl3

400 MHz in CDCl3

parameter in CDCl3

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    1H NMR 89.56 MHz
    C12 H9 N O 0.040 g : 0.5 ml CDCl3
    2-benzoylpyridine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.708 B 8.06 C 8.03 D 7.883 E 7.54 F 7.58 to 7.34 CONFIRMED BY LAOCN PROGRAM.

         Hz     ppm     Int.
    

        783.81   8.752    140
        782.75   8.740    182
        782.19   8.734    181
        781.13   8.722    171
        779.06   8.699    165
        778.06   8.688    198
        777.38   8.680    193
        776.38   8.669    184
        727.81   8.127    387
        726.06   8.107    405
        725.00   8.096    162
        724.50   8.090    241
        723.31   8.077    215
        722.31   8.066    265
        720.81   8.049    326
        720.31   8.043    313
        718.06   8.018    536
        717.19   8.008    397
        716.19   7.997    373
        715.50   7.990    359
        714.50   7.978    318
        712.88   7.960    291
        711.19   7.941    279
        705.69   7.880    330
        703.94   7.860    312
        697.88   7.793    149
        696.13   7.773    147
        686.06   7.661     48
        681.19   7.606    127
        679.81   7.591    162
        677.06   7.560    174
        676.44   7.553    306
        674.63   7.533   1000
        672.81   7.513    539
        672.06   7.505    281
        671.38   7.497    204
        669.81   7.479    308
        669.13   7.472    238
        668.13   7.461    483
        667.44   7.453    492
        665.63   7.433    209
        664.56   7.421     70
        663.56   7.410     82
        662.56   7.398    175
        662.00   7.392    150
        660.88   7.380    169
        658.63   7.355     77
    

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    1H NMR 399.65 MHz
    C12 H9 N O 0.042 g : 0.5 ml CDCl3
    2-benzoylpyridine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.723 B 8.07 C 8.037 D 7.893 E 7.588 F 7.49 G 7.48

         Hz     ppm     Int.
    

       3489.75   8.733    247
       3488.77   8.730    285
       3488.04   8.728    289
       3487.06   8.726    260
       3484.99   8.721    252
       3484.01   8.718    284
       3483.28   8.716    275
       3482.30   8.714    242
       3239.14   8.105     30
       3238.16   8.103     32
       3236.94   8.100     36
       3231.45   8.086    161
       3229.74   8.082    741
       3229.13   8.080    596
       3228.39   8.079    899
       3227.78   8.077    382
       3227.17   8.075    348
       3223.39   8.066    298
       3221.31   8.061   1000
       3219.97   8.057    894
       3217.41   8.051    317
       3216.43   8.049    429
       3215.21   8.046    307
       3209.59   8.032    386
       3208.62   8.029    530
       3207.40   8.026    371
       3162.60   7.914    374
       3160.89   7.910    366
       3158.45   7.904     30
       3157.47   7.901     34
       3154.91   7.895    541
       3153.20   7.890    553
       3147.22   7.875    306
       3145.39   7.871    305
       3042.48   7.613    133
       3041.14   7.610    245
       3039.79   7.607    144
       3038.57   7.604     35
       3037.35   7.601     39
       3035.77   7.597    175
       3033.69   7.591    477
       3031.74   7.586    197
       3030.15   7.583     42
       3027.71   7.576    263
       3026.37   7.573    456
       3024.90   7.569    234
       3009.03   7.530     36
       3008.54   7.528     38
       3007.93   7.527     36
       3006.96   7.524     37
       3000.85   7.509    197
       2999.63   7.506    564
       2999.15   7.505    684
       2997.68   7.501    344
       2995.73   7.496    400
       2994.38   7.493    418
       2992.55   7.488    531
       2991.33   7.485    987
       2989.62   7.481    529
       2988.04   7.477    358
       2986.82   7.474    350
       2985.72   7.471    233
       2984.01   7.467    485
       2983.28   7.465    582
       2982.06   7.462    344
    

  • 图谱

    1H NMR 300 MHz
    C12 H9 N O 20 wt% in CCl4
    2-benzoylpyridine
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.115 D(B) 7.372 D(C) 7.461 J(A,A') 1.73 J(A,B) 7.90 J(A,B') 0.59 J(A,C) 1.34 J(A',B) 0.59 J(A',B') 7.90 J(A',C) 1.34 J(B,B') 1.30 J(B,C) 7.44 J(B',C) 7.44 D(D) 8.569 D(E) 7.300 D(F) 7.721 D(G) 7.955 J(D,E) 4.76 J(D,F) 1.77 J(D,G) 0.93 J(E,F) 7.58 J(E,G) 1.24 J(F,G) 7.88 CASTELLANO,S. & BOTHNER-BY,A.A. J.CHEM.PHYS. 41, 3863 (1964)

         Hz     ppm     Int.
    

       2574.44   8.581    307
       2573.52   8.578    347
       2572.69   8.576    352
       2571.77   8.573    325
       2569.68   8.566    325
       2568.75   8.563    359
       2567.94   8.560    358
       2567.02   8.557    321
       2441.36   8.138    103
       2439.45   8.131    637
       2438.13   8.127    785
       2436.68   8.122    386
       2433.19   8.111    254
       2431.13   8.104   1000
       2429.62   8.099    763
       2391.73   7.972    287
       2390.65   7.969    429
       2389.60   7.965    291
       2383.85   7.946    362
       2382.78   7.943    542
       2381.73   7.939    360
       2324.80   7.749    286
       2323.03   7.743    284
       2317.13   7.724    473
       2315.38   7.718    463
       2309.36   7.698    260
       2307.59   7.692    255
       2248.04   7.493     81
       2246.63   7.489    157
       2245.21   7.484     92
       2241.91   7.473    118
       2239.40   7.465    451
       2236.97   7.457    153
       2233.50   7.445    260
       2232.03   7.440    459
       2230.56   7.435    231
       2220.34   7.401    155
       2219.12   7.397    524
       2218.44   7.395    714
       2217.13   7.390    337
       2212.29   7.374    536
       2210.87   7.370    984
       2205.30   7.351    164
       2203.77   7.346    407
       2202.53   7.342    242
       2196.66   7.322    308
       2195.40   7.318    306
       2191.91   7.306    306
       2190.65   7.302    312
       2189.09   7.297    291
       2187.85   7.293    276
       2184.34   7.281    267
       2183.09   7.277    262
    

in CDCl3

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CCl4 solution

  • 图谱

KBr disc

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nujol mull

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