100-70-9

2-氰基吡啶(100-70-9)紅外圖譜(IR1)

產(chǎn)品名稱:2-氰基吡啶

CAS:100-70-9

分子式:C6H4N2

分子量: 104.11

InChI:InChI=1S/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4H

InChIKey: FFNVQNRYTPFDDP-UHFFFAOYSA-N

Smiles:C1(C#N)=NC=CC=C1

Mass

MS-NW-1288          
2-pyridinecarbonitrile
C6H4N2              (Mass of molecular ion:    104)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       2.1
      26.0       8.4
      27.0       1.8
      28.0       2.6
      37.0       3.0
      38.0       3.1
      39.0       2.1
      49.0       3.1
      50.0      18.5
      51.0      14.4
      52.0       9.6
      53.0       5.9
      64.0       4.1
      75.0       5.2
      76.0      10.5
      77.0      41.0
      78.0       7.4
     103.0       3.3
     104.0     100.0
     105.0       7.2

90 MHz in CDCl3

parameter in CCl4

¹H NMR	89.56 MHz
C₆ H₄ N₂	0.04 ml : 0.5 ml CDCl₃
2-pyridinecarbonitrile

    Assign.     Shift(ppm)

      A             8.742
      B             7.881
      C             7.747
      D             7.579

     Hz     ppm     Int.

    786.81   8.786    264
    785.81   8.775    316
    785.06   8.766    340
    784.06   8.755    306
    782.06   8.733    306
    781.06   8.722    343
    780.31   8.713    362
    779.31   8.702    316
    716.81   8.004    248
    715.06   7.985    250
    709.56   7.923    396
    709.06   7.918    584
    707.81   7.904    362
    707.31   7.898    608
    705.88   7.882     37
    701.81   7.837    992
    700.06   7.817    953
    697.44   7.788    631
    696.38   7.776    696
    695.63   7.768   1000
    694.63   7.757    936
    692.44   7.732     35
    691.38   7.720     42
    689.69   7.701    396
    688.63   7.690    381
    687.88   7.681    245
    686.88   7.670    218
    684.75   7.646    756
    682.94   7.626    534
    679.94   7.593    661
    678.19   7.573    508
    677.44   7.565    493
    675.63   7.544    388
    672.69   7.512    434
    670.88   7.491    365

¹H NMR	300 MHz
C₆ H₄ N₂	10 vol% in CCl₄
2-pyridinecarbonitrile

    Parameter     ppm  Hz

      D(A)         8.69
      D(B)         7.55
      D(C)         7.88
      D(D)         7.70
       J(A,B)          4.84
       J(A,C)          1.74
       J(A,D)          0.96
       J(B,C)          7.85
       J(B,D)          1.19
       J(C,D)          7.80
     
     SMITH,W.B. & ROARK,J.L. J.PHYS.CHEM. 73, 1049 (1969)

     Hz     ppm     Int.

   2610.78   8.703    521
   2609.81   8.699    601
   2609.07   8.697    609
   2608.11   8.694    549
   2605.95   8.686    554
   2604.98   8.683    619
   2604.24   8.681    619
   2603.27   8.678    544
   2373.10   7.910    371
   2371.37   7.905    369
   2365.30   7.884    910
   2363.57   7.879    899
   2357.50   7.858    578
   2355.78   7.853    568
   2314.71   7.716    607
   2313.62   7.712   1000
   2312.56   7.709    653
   2306.91   7.690    476
   2305.83   7.686    750
   2304.76   7.683    472
   2271.76   7.573    542
   2270.52   7.568    517
   2266.92   7.556    538
   2265.70   7.552    525
   2263.96   7.547    487
   2262.72   7.542    454
   2259.12   7.530    451
   2257.90   7.526    432

in CDCl3