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626-56-2

3-甲基哌啶(626-56-2)红外图谱(IR1)

产品名称:3-甲基哌啶

CAS:626-56-2

分子式:C6H13N

分子量: 99.17

InChI:InChI=1S/C6H13N/c1-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3

InChIKey: JEGMWWXJUXDNJN-UHFFFAOYSA-N

Smiles:N1CCCC(C)C1

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    Mass

    MS-NW-3266          
    3-methylpiperidine
    C6H13N              (Mass of molecular ion:     99)
    

       Source Temperature: 250 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       3.1
          18.0       1.7
          26.0       1.7
          27.0      11.3
          28.0      20.3
          29.0      18.4
          30.0      46.6
          38.0       2.3
          39.0      17.2
          40.0       4.1
          41.0      24.2
          42.0      32.2
          43.0      23.9
          44.0     100.0
          45.0       2.9
          50.0       1.1
          51.0       1.9
          52.0       1.3
          53.0       3.6
          54.0       3.3
          55.0      10.4
          56.0      40.9
          57.0      49.0
          58.0       4.3
          63.0       1.1
          65.0       3.6
          66.0       5.2
          67.0       3.7
          68.0       3.6
          69.0       5.1
          70.0      24.3
          71.0       9.8
          80.0       1.3
          81.0       1.9
          82.0       3.2
          83.0       1.0
          84.0      47.5
          85.0       3.0
          92.0       3.9
          93.0      12.9
          94.0       1.4
          96.0       1.0
          98.0      56.4
          99.0      56.8
         100.0       4.2
         112.0       2.3
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H13 N 0.05 ml : 0.5 ml CDCl3
    3-methylpiperidine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.97 B 2.500 C 2.192 D 1.761 E 1.614 F 1.50 G 1.43 J 1.010 K 0.830 ASSIGNED BY C-H COSY.

         Hz     ppm     Int.
    

       1200.81   3.005     61
       1199.34   3.001     70
       1198.00   2.998     89
       1196.78   2.995     96
       1193.97   2.988    119
       1192.63   2.985    123
       1189.82   2.978    124
       1188.72   2.975    140
       1187.38   2.972    138
       1186.04   2.968    120
       1184.57   2.965    111
       1183.11   2.961     96
       1181.88   2.958    137
       1180.54   2.954    127
       1178.59   2.950     96
       1176.51   2.944     91
       1012.33   2.534    100
       1009.40   2.526    106
       1000.37   2.504    182
        997.44   2.496    182
        988.28   2.473    100
        985.47   2.466     92
        887.33   2.221    174
        876.83   2.194    201
        875.37   2.191    187
        864.87   2.165    174
        714.23   1.788     54
        712.40   1.783     72
        710.57   1.778     80
        708.74   1.774     77
        707.03   1.770     61
        705.08   1.765     47
        703.25   1.760     45
        701.17   1.755     60
        699.46   1.751     78
        697.63   1.746     87
        695.80   1.742     82
        694.09   1.737     64
        656.25   1.643     62
        652.71   1.634     86
        649.29   1.625     64
        646.00   1.617     56
        643.07   1.610     93
        639.40   1.600    121
        635.99   1.592     84
        615.48   1.541     49
        611.69   1.531     44
        608.76   1.524     71
        604.86   1.514     80
        601.44   1.505     65
        597.78   1.496     89
        596.19   1.492     67
        593.99   1.487     82
        592.16   1.482     99
        591.19   1.480     68
        588.26   1.472     67
        587.40   1.470     69
        583.74   1.461     94
        579.96   1.452    139
        575.93   1.442    115
        575.07   1.439    106
        571.90   1.432    179
        571.17   1.430    175
        567.87   1.421    150
        564.09   1.412     77
        563.23   1.410     67
        558.72   1.399     46
        554.81   1.389     61
        422.85   1.059     59
        418.95   1.049     57
        411.62   1.030     66
        410.16   1.027     98
        407.71   1.021     69
        406.25   1.017     92
        399.05   0.999     85
        397.58   0.995     66
        395.02   0.989     83
        393.68   0.986     59
        386.35   0.967     43
        382.32   0.957     42
        334.96   0.839   1000
        328.25   0.822    962
    

in CDCl3

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liquid film

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