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110-86-1

吡啶(110-86-1)质谱(MS)

产品名称:吡啶

CAS:110-86-1

分子式:C5H5N

分子量: 79.1

InChI:InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H

InChIKey: JUJWROOIHBZHMG-UHFFFAOYSA-N

Smiles:C1=NC=CC=C1

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    Mass

    MS-NW-0079          
    pyridine
    C5H5N               (Mass of molecular ion:     79)
    

       Source Temperature: 200 °C
       Sample Temperature:  25 °C
       Reservoir, 75 eV
    

          26.0       4.7
          27.0       1.4
          28.0       1.4
          37.0       1.4
          38.0       1.8
          39.0       6.0
          49.0       2.6
          50.0      13.6
          51.0      22.3
          52.0      56.0
          53.0       6.1
          75.0       1.6
          76.0       1.2
          78.0      11.3
          79.0     100.0
          80.0       6.3
    

90 MHz in CDCl3

400 MHz in CDCl3

parameter in CDCl3

parameter in DMSO-d6

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    1H NMR 89.56 MHz
    C5 H5 N 4.0 mol% in CDCl3
    pyridine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.277 B 7.655 C 8.613

         Hz     ppm     Int.
    

        775.06   8.655    528
        773.06   8.632    800
        771.06   8.610    494
        768.81   8.585    726
        696.25   7.775    214
        694.44   7.754    387
        692.56   7.733    210
        689.56   7.700    253
        687.88   7.681    402
        687.13   7.673    635
        686.63   7.667    640
        685.75   7.657    275
        684.19   7.640    314
        681.19   7.606    457
        679.31   7.585    828
        677.44   7.565    412
        657.50   7.342    968
        657.00   7.336    844
        655.81   7.323    938
        652.94   7.291    858
        651.63   7.276   1000
        650.25   7.261    609
        649.50   7.253    597
        647.94   7.235    491
        645.63   7.209    463
        644.38   7.195    596
        643.31   7.184    419
    

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    1H NMR 399.65 MHz
    C5 H5 N 0.05 ml : 0.5 ml CDCl3
    pyridine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.593 B 7.617 C 7.231

         Hz     ppm     Int.
    

       3449.46   8.632     32
       3437.99   8.603    642
       3436.28   8.599    744
       3434.69   8.595    422
       3433.72   8.592    426
       3432.13   8.588    681
       3430.30   8.584    530
       3424.93   8.570     30
       3055.54   7.646     34
       3053.96   7.642    282
       3052.12   7.637    499
       3050.29   7.633    281
       3047.85   7.627     53
       3046.51   7.623    341
       3046.14   7.623    364
       3044.56   7.619    783
       3042.85   7.614    319
       3042.48   7.613    336
       3040.28   7.608     39
       3038.70   7.604    298
       3036.87   7.599    531
       3035.03   7.595    277
       2906.25   7.272     31
       2905.15   7.270     35
       2904.17   7.267     41
       2903.56   7.266     42
       2902.71   7.264     43
       2901.98   7.262     49
       2900.27   7.258     64
       2896.36   7.248   1000
       2894.78   7.244    679
       2891.85   7.236    663
       2890.50   7.233    952
       2888.55   7.228    854
       2886.96   7.224    542
       2884.28   7.218    565
       2882.81   7.214    823
    

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    1H NMR 300 MHz
    C5 H5 N 10 wt% in CDCl3
    pyridine
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.524 D(B) 7.155 D(C) 7.542 J(A,A') -0.13 J(A,B) 4.86 J(A,B') 0.98 J(A,C) 1.85 J(A',B) 0.98 J(A',B') 4.86 J(A',C) 1.85 J(B,B') 1.36 J(B,C) 7.66 J(B',C) 7.66 CASTELLANO,S. ET AL. J.CHEM.PHYS. 46, 327 (1967)

         Hz     ppm     Int.
    

       2561.05   8.537    755
       2559.26   8.531   1000
       2557.76   8.526    506
       2556.86   8.523    520
       2555.18   8.517    963
       2553.43   8.511    738
       2272.35   7.574    134
       2270.50   7.568    253
       2268.66   7.562    135
       2264.51   7.548    225
       2262.86   7.543    543
       2261.17   7.537    221
       2257.05   7.523    178
       2255.20   7.517    327
       2253.35   7.511    170
       2153.07   7.177    735
       2151.61   7.172    468
       2148.77   7.163    465
       2147.31   7.158    751
       2145.39   7.151    675
       2143.87   7.146    389
       2141.21   7.137    375
       2139.72   7.132    619
    

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    1H NMR 300 MHz
    C5 H5 N 30 % in DMSO
    pyridine
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.59 D(B) 7.38 D(C) 7.75 J(A,A') 0.4 J(A,B) 5.5 J(A,B') 0.9 J(A,C) 1.9 J(A',B) 0.9 J(A',B') 5.5 J(A',C) 1.9 J(B,B') 1.6 J(B,C) 7.6 J(B',C) 7.6 BRUEGEL,W. Z.ELEKTROCHEM.BER.BUNSENGES.PHYS.CHEM. 66, 159 (1962)

         Hz     ppm     Int.
    

       2581.16   8.604    692
       2579.35   8.598   1000
       2577.85   8.593    481
       2576.43   8.588    476
       2574.68   8.582    936
       2572.92   8.576    752
       2334.73   7.782    129
       2332.84   7.776    236
       2330.97   7.770    133
       2327.02   7.757    241
       2325.26   7.751    517
       2323.48   7.745    237
       2319.56   7.732    175
       2317.67   7.726    308
       2315.78   7.719    164
       2220.84   7.403    691
       2219.36   7.398    439
       2215.94   7.386    453
       2214.42   7.381    783
       2213.32   7.378    736
       2211.70   7.372    375
       2208.45   7.361    352
       2206.89   7.356    588
    

in CDCl3

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liquid film

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4880 A,100M,liquid

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COBALT COMPLEX, IN CHCL3

ANION RADICAL, ELECTROREDUCTION IN LIQ. NH3, -75C

DIMER ANION RADICAL, REDUCTION WITH K IN DME

MN(II) COMPLEX IN TOLUENE

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