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54-36-4

甲吡酮(54-36-4)红外图谱(IR1)

产品名称:甲吡酮

CAS:54-36-4

分子式:C14H14N2O

分子量: 226.27

InChI:InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3

InChIKey: FJLBFSROUSIWMA-UHFFFAOYSA-N

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

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    Mass

    MS-NW-7032          
    2-methyl-1,2-di(3-pyridyl)-1-propanone
    C14H14N2O           (Mass of molecular ion:    226)
    

       Source Temperature: 160 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       1.5
          27.0       4.6
          28.0       3.1
          39.0       9.4
          40.0       1.1
          41.0      11.9
          50.0       5.2
          51.0      24.0
          52.0       6.4
          53.0       4.3
          63.0       1.9
          65.0       7.6
          77.0       6.8
          78.0      37.1
          79.0       8.8
          80.0       9.4
          91.0       3.8
          92.0      39.8
          93.0       4.3
         104.0       5.9
         105.0       1.7
         106.0      93.2
         107.0       6.4
         117.0       1.5
         118.0       4.4
         119.0       3.0
         120.0     100.0
         121.0       9.3
         226.0      57.0
         227.0      10.0
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C14 H14 N2 O 0.046 g : 0.5 ml CDCl3
    2-methyl-1,2-di(3-pyridyl)-1-propanone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.685 B 8.62 C 8.61 D 8.56 E 7.790 F 7.609 G 7.30 J 7.23 K 1.675 J(A,E)=2.3HZ, J(A,J)=0.9HZ, J(B,F)=2.5HZ, J(B,G)=0.9HZ, J(C,E)=1.7HZ, J(C,J)=4.8HZ, J(D,F)=1.7HZ, J(D,G)=4.8HZ, J(E,J)=8.0HZ, J(F,G)=8.0HZ

         Hz     ppm     Int.
    

        779.38   8.703     47
        779.25   8.701     47
        778.50   8.693     50
        777.00   8.676     55
        776.19   8.667     54
        773.50   8.637     81
        771.81   8.618     90
        770.94   8.609     54
        770.00   8.598     50
        768.75   8.584     64
        767.06   8.565     53
        765.25   8.545     44
        763.56   8.526     45
        704.31   7.865     30
        702.56   7.845     34
        702.00   7.839     31
        696.25   7.775     40
        694.56   7.756     43
        694.00   7.749     43
        692.25   7.730     37
        680.50   7.599     40
        678.81   7.580     40
        678.00   7.571     41
        676.31   7.552     36
        660.44   7.375     42
        659.50   7.364     41
        655.63   7.321     54
        654.81   7.312     39
        653.56   7.298     44
        652.69   7.288     52
        648.75   7.244     38
        647.81   7.234     54
        645.56   7.209     32
        644.63   7.198     30
        150.06   1.676   1000
    

KBr disc

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nujol mull

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