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626-58-4

4-甲基六氢吡啶(626-58-4)质谱(MS)

产品名称:4-甲基六氢吡啶

CAS:626-58-4

分子式:C6H13N

分子量: 99.17

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

InChIKey: UZOFELREXGAFOI-UHFFFAOYSA-N

Smiles:N1CCC(C)CC1

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    Mass

    MS-NW-0649          
    4-methylpiperidine
    C6H13N              (Mass of molecular ion:     99)
    

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

          15.0       3.6
          26.0       1.9
          27.0      15.2
          28.0      27.5
          29.0      26.6
          30.0      53.3
          38.0       1.4
          39.0      13.1
          40.0       3.2
          41.0      22.3
          42.0      37.8
          43.0      32.9
          44.0      54.9
          45.0       1.7
          50.0       1.1
          51.0       2.0
          52.0       1.2
          53.0       4.4
          54.0       3.5
          55.0      25.0
          56.0      74.4
          57.0      54.0
          58.0       2.8
          65.0       1.3
          66.0       1.8
          67.0       2.9
          68.0       3.3
          69.0       4.0
          70.0       8.5
          71.0       5.3
          80.0       1.6
          81.0       1.1
          82.0       4.5
          84.0      26.5
          85.0       2.0
          92.0       1.1
          93.0       4.8
          96.0       1.4
          97.0       2.7
          98.0     100.0
          99.0      61.5
         100.0       4.3
         112.0       1.8
         127.0       1.8
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H13 N 0.05 ml : 0.5 ml CDCl3
    4-methylpiperidine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.026 B 2.569 C 1.84 D 1.608 E 1.451 F 1.077 G 0.911 J(B,D)=2.6HZ. J(A,B)=J(B,F)=12.2HZ.

         Hz     ppm     Int.
    

       1219.36   3.052     98
       1218.51   3.049    103
       1215.58   3.042    162
       1213.13   3.036    103
       1212.40   3.034    105
       1206.91   3.020    112
       1206.30   3.019    114
       1203.74   3.012    172
       1200.81   3.005    104
       1199.71   3.002    104
       1039.79   2.602    159
       1037.11   2.596    160
       1027.59   2.572    261
       1024.90   2.565    262
       1015.26   2.541    135
       1012.70   2.534    135
        734.74   1.839     63
        654.54   1.638     43
        651.49   1.631    105
        649.90   1.627    125
        648.68   1.624    121
        647.83   1.621    123
        643.92   1.612     54
        641.97   1.607     52
        639.16   1.600    104
        638.06   1.597    126
        637.21   1.595    133
        636.11   1.592    136
        635.50   1.591    134
        634.40   1.588    129
        587.40   1.470     45
        583.62   1.461     64
        580.57   1.453     48
        577.03   1.444     67
        572.39   1.433     47
        570.43   1.428     33
        569.46   1.425     32
        565.67   1.416     39
        449.95   1.126     72
        445.92   1.116     71
        437.99   1.096    125
        437.01   1.094    121
        433.72   1.086    135
        425.42   1.065    118
        422.36   1.057    103
        421.26   1.055    111
        413.33   1.035     49
        409.30   1.025     53
        367.43   0.920   1000
        364.62   0.913     67
        360.84   0.903    929
        356.93   0.894     30
    

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    1H NMR 89.56 MHz
    C6 H13 N 0.04 ml : 0.5 ml CDCl3
    4-methylpiperidine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 0.92 B 1.08 C 1.45 D 1.61 E 2.57 F 2.67 G 3.02

         Hz     ppm     Int.
    

        278.56   3.111     99
        266.56   2.977    175
        239.38   2.673    393
        230.75   2.577    215
        222.31   2.483     40
        221.88   2.478     40
        218.81   2.444    103
        150.19   1.677    121
        139.81   1.562    229
        113.25   1.265    127
        102.06   1.140    157
         94.13   1.052     68
         93.69   1.047     71
         90.38   1.010    132
         86.25   0.964    182
         84.38   0.943   1000
         78.75   0.880    620
         71.38   0.798     56
         68.13   0.761     33
         68.00   0.760     33
         67.38   0.753     30
    

in CDCl3

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CCl4 solution

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liquid film

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