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622-39-9

毒芹分碱(622-39-9)红外图谱(IR1)

产品名称:毒芹分碱

CAS:622-39-9

分子式:C8H11N

分子量: 121.18

InChI:InChI=1S/C8H11N/c1-2-5-8-6-3-4-7-9-8/h3-4,6-7H,2,5H2,1H3

InChIKey: OIALIKXMLIAOSN-UHFFFAOYSA-N

Smiles:C1(CCC)=NC=CC=C1

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    Mass

    MS-NW-3124          
    2-propylpyridine
    C8H11N              (Mass of molecular ion:    121)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          26.0       1.0
          27.0       3.9
          38.0       1.3
          39.0       7.4
          40.0       1.1
          41.0       1.9
          50.0       2.3
          51.0       6.0
          52.0       5.3
          53.0       2.4
          63.0       1.8
          64.0       1.1
          65.0       7.9
          66.0       4.9
          67.0       1.1
          77.0       1.8
          78.0       7.3
          79.0       8.7
          80.0       2.5
          91.0       1.0
          92.0       7.6
          93.0     100.0
          94.0       7.4
         106.0      27.2
         107.0       2.7
         117.0       1.2
         118.0       1.7
         120.0      12.4
         121.0       3.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H11 N 26.4 mg : 0.5 ml CDCl3
    2-propylpyridine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.525 B 7.577 C 7.136 D 7.088 E 2.764 F 1.759 G 0.970

         Hz     ppm     Int.
    

       3411.13   8.536     72
       3410.16   8.533     82
       3409.30   8.531     87
       3408.33   8.529     80
       3406.25   8.524     82
       3405.27   8.521     89
       3404.42   8.519     90
       3403.56   8.517     81
       3037.11   7.600     79
       3035.28   7.595     83
       3029.54   7.581    144
       3027.71   7.576    153
       3021.85   7.562     99
       3019.90   7.557     97
       2857.30   7.150     82
       2856.20   7.147    146
       2855.22   7.145    104
       2849.49   7.130     81
       2848.51   7.128    137
       2847.41   7.125     99
       2839.60   7.106     88
       2839.11   7.104     67
       2838.38   7.103     84
       2834.72   7.094     86
       2833.50   7.090     85
       2832.03   7.087     89
       2830.93   7.084     80
       2827.15   7.075     84
       2825.93   7.072     77
       1112.79   2.785    201
       1105.10   2.766    225
       1103.76   2.762    141
       1097.41   2.746    221
        722.41   1.808     44
        714.97   1.789    153
        713.50   1.786     37
        708.74   1.774     78
        707.40   1.771    202
        706.05   1.767     90
        701.42   1.756     81
        699.83   1.752    229
        698.73   1.749     95
        693.97   1.737     38
        692.26   1.733    151
        684.94   1.714     48
        394.78   0.988    492
        390.26   0.977     30
        387.45   0.970   1000
        383.54   0.960     35
        381.96   0.956     37
        380.13   0.952    439
    

in CDCl3

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liquid film

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