68922-17-8

1,1′-亚甲基双(3-甲基哌啶)(68922-17-8)核磁图(¹HNMR)

产品名称:1,1′-亚甲基双(3-甲基哌啶)

CAS:68922-17-8

分子式:C13H26N2

分子量: 210.36

InChI:InChI=1S/C13H26N2/c1-12-5-3-7-14(9-12)11-15-8-4-6-13(2)10-15/h12-13H,3-11H2,1-2H3

InChIKey: KLFHRQOZJWCFOI-UHFFFAOYSA-N

Smiles:C(N1CCCC(C)C1)N1CCCC(C)C1

Mass

MS-NW-6451          
1,1'-methylenebis(3-methylpiperidine)
C13H26N2            (Mass of molecular ion:    210)

   Source Temperature: 240 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       2.7
      18.0       1.4
      27.0       5.4
      28.0       6.9
      29.0       6.7
      30.0      16.2
      39.0       6.7
      40.0       1.7
      41.0      15.2
      42.0      20.2
      43.0      12.3
      44.0      30.6
      45.0       1.0
      53.0       1.9
      54.0       1.7
      55.0       7.8
      56.0      12.3
      57.0      13.8
      58.0       6.0
      67.0       2.5
      68.0       4.4
      69.0       6.5
      70.0       7.9
      71.0       3.5
      80.0       1.1
      81.0       1.5
      82.0       3.4
      83.0       1.4
      84.0      11.6
      85.0       1.0
      93.0       1.0
      94.0       2.1
      96.0       6.4
      97.0       1.3
      98.0      13.3
      99.0      12.4
     100.0       1.1
     108.0       2.2
     109.0       1.9
     110.0       3.4
     111.0       8.7
     112.0     100.0
     113.0      10.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₂₆ N₂	0.04 ml : 0.5 ml CDCl₃
1,1'-methylenebis(3-methylpiperidine)

    Assign.     Shift(ppm)

      A             2.89
      B             2.86
      C             2.850
      D             1.846
      E             1.68
      F          1.65 to 1.530
      G             1.56
      J             1.54
      K             0.85
      L             0.852
     
     ASSIGNED BY C-H COSY.

     Hz     ppm     Int.

   1160.64   2.905    110
   1158.94   2.900     96
   1157.23   2.896     85
   1149.66   2.877    230
   1142.82   2.860    141
   1139.16   2.851    845
    750.61   1.879     78
    747.56   1.871     80
    739.38   1.851    153
    736.21   1.843    149
    728.15   1.822     84
    724.85   1.814     80
    685.06   1.715     40
    683.11   1.710     69
    681.64   1.706     89
    679.69   1.701     97
    678.10   1.697    102
    676.39   1.693     78
    674.44   1.688     69
    672.73   1.684     61
    670.53   1.678     71
    669.07   1.675     97
    667.24   1.670    126
    665.77   1.666    127
    663.82   1.662    131
    661.13   1.655     87
    657.59   1.646     91
    653.93   1.637    109
    650.76   1.629    130
    647.58   1.621    166
    644.29   1.613    149
    641.72   1.606    124
    640.14   1.602    136
    638.79   1.599    191
    637.57   1.596    171
    635.50   1.591    199
    634.40   1.588    238
    631.59   1.581    342
    627.93   1.572    150
    624.02   1.562    102
    621.34   1.555    259
    616.09   1.542    151
    611.21   1.530    132
    608.28   1.523     72
    607.06   1.519     58
    604.37   1.513    102
    603.27   1.510     77
    600.46   1.503     57
    599.37   1.500     42
    595.09   1.490     30
    591.19   1.480     45
    367.31   0.920     54
    361.21   0.904     85
    356.93   0.894     74
    349.12   0.874    165
    343.87   0.861   1000
    337.65   0.845    935
    332.76   0.833    114
    326.42   0.817     50
    322.14   0.807     37

in CDCl3