2739-97-1

2-吡啶乙腈(2739-97-1)核磁图(¹³CNMR)

产品名称:2-吡啶乙腈

CAS:2739-97-1

分子式:C7H6N2

分子量: 118.14

InChI:InChI=1S/C7H6N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4H2

InChIKey: UKVQBONVSSLJBB-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-9950          
(2-pyridyl)acetonitrile
C7H6N2              (Mass of molecular ion:    118)

   Source Temperature: 200 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      26.0       1.7
      27.0       2.4
      28.0       1.9
      37.0       2.2
      38.0       3.5
      39.0       5.3
      40.0       1.6
      41.0       1.8
      50.0       5.3
      51.0      17.7
      52.0       5.3
      53.0       1.1
      61.0       1.1
      62.0       2.1
      63.0       5.7
      64.0       8.7
      65.0       3.4
      76.0       1.1
      78.0      62.5
      79.0       3.8
      90.0       2.8
      91.0      17.9
      92.0       2.0
     117.0       1.3
     118.0     100.0
     119.0       8.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₆ N₂	0.05 ml : 0.5 ml CDCl₃
(2-pyridyl)acetonitrile

    Assign.     Shift(ppm)

      A             8.563
      B             7.720
      C             7.41
      D             7.26
      E             3.964

     Hz     ppm     Int.

    771.00   8.609    109
    770.00   8.598    128
    769.25   8.590    135
    768.31   8.579    125
    766.19   8.556    129
    765.19   8.544    141
    764.38   8.535    142
    763.50   8.526    126
    701.50   7.833     78
    699.69   7.813     77
    693.88   7.748    174
    692.06   7.728    172
    686.25   7.663    175
    684.44   7.643    164
    666.31   7.440    230
    662.75   7.401     39
    662.31   7.396     40
    661.63   7.388     40
    658.31   7.351    159
    657.19   7.338    187
    655.88   7.324    122
    652.31   7.284    129
    651.69   7.277    116
    651.00   7.269    118
    650.38   7.262    105
    649.69   7.255    108
    649.13   7.248     94
    648.44   7.241     91
    644.88   7.201     87
    644.25   7.194     79
    643.56   7.186     77
    355.06   3.965   1000

in CDCl3