31252-42-3

4-苄基哌啶(31252-42-3)核磁图(¹HNMR)

产品名称:4-苄基哌啶

CAS:31252-42-3

分子式:C12H17N

分子量: 175.27

InChI:InChI=1S/C12H17N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5,12-13H,6-10H2

InChIKey: ABGXADJDTPFFSZ-UHFFFAOYSA-N

Smiles:N1CCC(CC2=CC=CC=C2)CC1

Mass

MS-NW-6402          
4-benzylpiperidine
C12H17N             (Mass of molecular ion:    175)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.5
      17.0       1.2
      18.0       5.9
      27.0       7.1
      28.0      13.7
      29.0      14.6
      30.0     100.0
      31.0       1.9
      38.0       1.0
      39.0      10.4
      40.0       1.0
      41.0       6.9
      42.0      23.9
      43.0      11.5
      44.0      22.2
      45.0       1.2
      50.0       2.1
      51.0       5.2
      52.0       2.0
      53.0       3.6
      54.0       3.5
      55.0      42.4
      56.0      53.4
      57.0      22.4
      58.0       1.6
      63.0       3.0
      65.0       9.2
      67.0       2.7
      68.0       3.7
      69.0      42.1
      70.0       5.8
      77.0       3.0
      78.0       2.0
      79.0       1.5
      80.0       2.1
      82.0      24.5
      83.0      14.9
      84.0      44.4
      85.0       3.1
      89.0       1.8
      91.0      23.9
      92.0       3.0
      93.0       2.5
      96.0       1.1
      97.0      21.2
      98.0       2.8
     103.0       1.6
     104.0       2.2
     105.0       1.7
     115.0       4.5
     116.0       1.7
     117.0       6.4
     118.0       7.6
     119.0       1.0
     128.0       1.6
     129.0       3.4
     130.0       6.7
     131.0       2.7
     132.0       2.1
     145.0       1.0
     146.0       1.0
     168.0       1.8
     169.0       3.0
     173.0       1.9
     174.0      40.3
     175.0      60.3
     176.0       8.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₇ N	0.04 ml : 0.5 ml CDCl₃
4-benzylpiperidine

    Assign.     Shift(ppm)

      A             7.26
      B             7.26
      C             7.18
      D             7.13
      E             3.022
      F             2.52
      G             2.51
      J             1.62
      K             1.148

     Hz     ppm     Int.

   2911.50   7.286    239
   2910.52   7.283    355
   2908.94   7.279    195
   2905.15   7.270    312
   2903.44   7.265   1000
   2897.34   7.250    256
   2896.00   7.247    577
   2894.04   7.242    143
   2875.24   7.195    154
   2873.90   7.192    296
   2872.56   7.188    214
   2868.53   7.178    130
   2866.46   7.173    388
   2864.38   7.168    144
   2860.47   7.158    118
   2859.13   7.155    187
   2857.79   7.151    155
   2855.35   7.145    579
   2853.88   7.141    672
   2851.81   7.136    190
   2847.05   7.124    499
   1213.87   3.038    244
   1202.03   3.008    257
   1017.58   2.547    228
   1015.38   2.541    247
   1008.54   2.524    717
   1005.37   2.516    503
   1001.95   2.508    788
    993.16   2.486    183
    990.97   2.480    168
    665.65   1.666     59
    662.11   1.657     81
    658.45   1.648    140
    654.91   1.639    286
    651.98   1.632    327
    648.32   1.623    186
    646.85   1.619    258
    641.48   1.606    341
    638.67   1.599    287
    635.13   1.590    123
    479.13   1.199     89
    475.22   1.190     94
    467.53   1.170    189
    465.94   1.166    204
    463.50   1.160    209
    458.74   1.148     61
    453.86   1.136    181
    451.42   1.130    168
    449.95   1.126    151
    442.14   1.107     61

in CDCl3