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260-94-6

吖啶(260-94-6)红外图谱(IR2)

产品名称:吖啶

CAS:260-94-6

分子式:C13H9N

分子量: 179.22

InChI:InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H

InChIKey: DZBUGLKDJFMEHC-UHFFFAOYSA-N

Smiles:C1C2C(=NC3C(C=2)=CC=CC=3)C=CC=1

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    Mass

    MS-NW-0139          
    acridine
    C13H9N              (Mass of molecular ion:    179)
    

       Source Temperature: 150 °C
       Sample Temperature:   0 °C
       Direct, 75 eV
    

          39.0       1.1
          50.0       1.4
          51.0       1.6
          62.0       1.0
          63.0       2.5
          74.0       1.4
          75.0       2.6
          75.5       1.0
          76.0       3.3
          89.0       6.0
          89.5       5.5
         125.0       1.2
         126.0       1.9
         127.0       1.5
         150.0       2.8
         151.0       7.0
         152.0       6.6
         153.0       3.5
         176.0       1.1
         177.0       6.3
         178.0      17.7
         179.0     100.0
         180.0      14.8
         181.0       1.0
    

parameter in CDCl3

90 MHz in CDCl3

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    1H NMR 300 MHz
    C13 H9 N 0.7 M in CDCl3
    acridine
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.856 D(B) 7.434 D(C) 7.711 D(D) 8.217 D(E) 8.59 J(A,A') 0. J(A,B) 8.41 J(A,B') 0. J(A,C) 1.46 J(A,C') 0. J(A,D) 0.79 J(A,D') 0. J(A,E) -0.50 J(A',B) 0. J(A',B') 8.41 J(A',C) 0. J(A',C') 1.46 J(A',D) 0. J(A',D') 0.79 J(A',E) -0.50 J(B,B') 0. J(B,C) 6.66 J(B,C') 0. J(B,D) 1.10 J(B,D') 0. J(B,E) 0.30 J(B',C) 0. J(B',C') 6.66 J(B',D) 0. J(B',D') 1.10 J(B',E) 0.30 J(C,C') 0. J(C,D) 8.92 J(C,D') 0. J(C,E) -0.15 J(C',D) 0. J(C',D') 8.92 J(C',E) -0.15 J(D,D') 0. J(D,E) 0.88 J(D',E) 0.88 SCIACOVELLI,O. & VON PHILIPSBORN,W. ORG.MAGN.RESON. 3, 339 (1971)

         Hz     ppm     Int.
    

       2576.99   8.590    961
       2470.14   8.234    883
       2469.23   8.231    891
       2461.24   8.204    993
       2460.32   8.201   1000
       2361.78   7.873    674
       2361.14   7.870    778
       2360.51   7.868    704
       2353.39   7.845    768
       2352.75   7.842    889
       2352.12   7.840    813
       2321.81   7.739    585
       2320.35   7.734    568
       2315.15   7.717    718
       2313.66   7.712    751
       2312.96   7.710    657
       2311.45   7.705    523
       2306.25   7.688    627
       2304.78   7.683    578
       2237.97   7.460    645
       2236.94   7.456    648
       2231.30   7.438    587
       2229.85   7.433    789
       2228.56   7.429    599
       2222.93   7.410    480
       2221.90   7.406    477
    

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    1H NMR 89.56 MHz
    C13 H9 N 0.012 g : 0.5 ml CDCl3
    acridine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.760 B 8.247 C 7.985 D 7.780 E 7.535

         Hz     ppm     Int.
    

        775.50   8.660    902
        770.75   8.606     59
        742.06   8.286    661
        738.00   8.241    106
        733.31   8.188   1000
        732.31   8.177    947
        713.94   7.972    578
        713.13   7.963    589
        705.75   7.881    863
        704.50   7.867    933
        701.50   7.833    569
        699.94   7.816    540
        698.19   7.796    149
        694.88   7.759    895
        693.25   7.741    729
        691.19   7.718    364
        686.25   7.663    657
        684.56   7.644    468
        682.38   7.620     77
        681.94   7.615     77
        681.44   7.609     78
        681.13   7.606     80
        676.38   7.553    772
        675.19   7.539    729
        669.75   7.479    544
        668.31   7.463    775
        667.00   7.448    509
        664.00   7.415     97
        661.56   7.387    344
        660.38   7.374    296
    

in CDCl3

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KBr disc

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nujol mull

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ANION RADICAL, ELECTROCHEMICAL REDUCTION IN PYRIDINE

ANION RADICAL, REDUCTION WITH K-METAL AT RT

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