19437-26-4

2-二吡啶基酮(19437-26-4)红外图谱(IR2)

产品名称:2-二吡啶基酮

CAS:19437-26-4

分子式:C11H8N2O

分子量: 184.19

InChI:InChI=1S/C11H8N2O/c14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10/h1-8H

InChIKey: QPOWUYJWCJRLEE-UHFFFAOYSA-N

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

Mass

MS-NW-8222          
di(2-pyridyl) ketone
C11H8N2O            (Mass of molecular ion:    184)

   Source Temperature: 140 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       1.4
      26.0       1.4
      27.0       6.6
      28.0       4.3
      39.0       1.9
      50.0       5.8
      51.0      33.8
      52.0      12.5
      53.0       1.4
      75.0       1.1
      76.0       2.5
      77.0       3.1
      78.0     100.0
      79.0       9.6
      92.0       1.4
     101.0       1.1
     102.0       1.4
     103.0       1.9
     104.0       1.4
     106.0       8.0
     128.0       8.7
     129.0      14.2
     130.0       8.7
     155.0      33.9
     156.0      67.6
     157.0       7.7
     183.0       5.9
     184.0      77.2
     185.0      11.3
     186.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₈ N₂ O	0.044 g : 0.5 ml CDCl₃
di(2-pyridyl) ketone

    Assign.     Shift(ppm)

      A             8.754
      B             8.088
      C             7.893
      D             7.487
     
     J(A,B)=1.0HZ. J(A,C)=1.7HZ. J(A,D)=4.7HZ. J(B,C)=7.8HZ.
     J(B,D)=1.5HZ. J(D,C)=7.5HZ.

     Hz     ppm     Int.

    787.81   8.797    354
    786.88   8.787    442
    786.13   8.778    446
    785.13   8.767    403
    783.06   8.744    411
    782.13   8.734    486
    781.38   8.725    469
    780.44   8.715    417
    731.00   8.163    321
    730.00   8.151    389
    729.50   8.146    429
    728.50   8.135    384
    723.25   8.076    796
    722.25   8.065    914
    721.69   8.059    910
    720.75   8.048    776
    714.56   7.979    751
    712.81   7.960    720
    707.13   7.896   1000
    705.44   7.877    944
    699.38   7.810    544
    697.63   7.790    508
    676.56   7.555    707
    675.06   7.538    697
    671.81   7.502    646
    670.31   7.485    654
    669.13   7.472    479
    667.63   7.455    451
    664.38   7.419    452
    662.88   7.402    435

in CDCl3