4606-65-9

3-羟甲基哌啶(4606-65-9)Raman光谱

产品名称:3-羟甲基哌啶

CAS:4606-65-9

分子式:C6H13NO

分子量: 115.17

InChI:InChI=1S/C6H13NO/c8-5-6-2-1-3-7-4-6/h6-8H,1-5H2

InChIKey: VUNPWIPIOOMCPT-UHFFFAOYSA-N

Smiles:N1CCCC(CO)C1

Mass

MS-NW-6367          
3-piperidinemethanol
C6H13NO             (Mass of molecular ion:    115)

   Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       5.1
      17.0       4.5
      18.0      21.5
      26.0       2.9
      27.0      19.4
      28.0      32.6
      29.0      26.0
      30.0      90.0
      31.0      13.0
      32.0       2.7
      38.0       2.0
      39.0      19.2
      40.0       5.2
      41.0      50.5
      42.0      52.1
      43.0      61.7
      44.0     100.0
      45.0       4.4
      46.0       1.8
      50.0       1.6
      51.0       3.2
      52.0       2.6
      53.0       7.1
      54.0       8.5
      55.0      20.3
      56.0      67.4
      57.0      61.0
      58.0       7.4
      59.0       3.1
      60.0       3.4
      65.0       2.6
      66.0       1.7
      67.0       9.9
      68.0      17.7
      69.0      26.9
      70.0      32.3
      71.0       5.5
      72.0      20.0
      73.0       3.0
      77.0       1.0
      78.0       1.1
      79.0       2.0
      80.0       5.5
      81.0       3.1
      82.0      17.6
      83.0       4.8
      84.0      79.9
      85.0      18.2
      86.0      13.7
      87.0       3.5
      92.0       1.6
      93.0       2.3
      94.0       3.5
      95.0       3.4
      96.0      20.5
      97.0       6.9
      98.0      22.3
      99.0       2.4
     100.0       3.6
     108.0       1.3
     109.0       1.2
     110.0       1.1
     112.0      10.2
     113.0       1.5
     114.0      34.0
     115.0      61.4
     116.0       5.0
     128.0       3.9
     129.0       2.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₃ N O	0.046 g : 0.5 ml CDCl₃
3-piperidinemethanol

    Assign.     Shift(ppm)

      A     *1      3.444
      B     *1      3.367
      C             3.36
      D             3.155
      E             2.984
      F             2.548
      G             2.339
      J             1.781
      K             1.68
      L             1.66
      M             1.469
      N             1.098
     
     J(A,B)=-10.8HZ
     J(A,L)=5.6HZ
     J(B,L)=7.3HZ
     J(D,G)=-11.8HZ
     J(E,F)=-11.7HZ
     J(F,K)=2.9HZ
     J(G,L)=10.3HZ
     J(J,N)=-13.2HZ
     J(K,M)=-13.2HZ
     J(K,N)=4.0HZ

     Hz     ppm     Int.

   1398.19   3.499     33
   1397.09   3.496     35
   1386.23   3.469    435
   1380.62   3.455    489
   1375.49   3.442    809
   1369.87   3.428    785
   1365.48   3.417    124
   1354.74   3.390    851
   1347.41   3.372   1000
   1343.87   3.363    773
   1336.67   3.345    827
   1311.04   3.281     50
   1308.23   3.274     41
   1306.76   3.270     39
   1306.15   3.269     38
   1305.91   3.268     38
   1304.69   3.265     38
   1302.25   3.259     31
   1282.10   3.209     32
   1268.07   3.173    338
   1266.24   3.169    327
   1264.89   3.165    330
   1256.23   3.144    354
   1253.05   3.136    326
   1198.97   3.001    346
   1195.31   2.991    229
   1190.19   2.979    262
   1186.89   2.970    371
   1031.25   2.581    274
   1028.32   2.574    282
   1019.53   2.552    469
   1016.72   2.545    442
   1007.69   2.522    271
   1004.76   2.515    236
    945.92   2.367    439
    942.14   2.358     78
    935.67   2.342    573
    934.08   2.338    491
    923.83   2.312    420
    721.31   1.805    266
    719.24   1.800    270
    717.53   1.796    287
    713.50   1.786    210
    712.28   1.783    208
    708.37   1.773    293
    706.42   1.768    295
    704.71   1.764    304
    696.04   1.742     61
    693.85   1.737     69
    687.01   1.720    153
    683.47   1.711    269
    679.93   1.702    359
    676.15   1.692    311
    673.46   1.686    306
    669.92   1.677    466
    666.63   1.669    545
    663.09   1.660    458
    659.18   1.650    329
    655.64   1.641    243
    655.40   1.640    243
    654.30   1.638    241
    652.34   1.633    231
    648.56   1.623    181
    645.26   1.615    119
    643.19   1.610     91
    641.48   1.606     94
    637.70   1.596     56
    607.54   1.521    102
    603.64   1.511    166
    599.61   1.501    123
    595.95   1.492    205
    594.12   1.487    175
    591.92   1.482    325
    588.01   1.472    204
    584.23   1.462    171
    582.52   1.458    194
    580.20   1.452    249
    578.74   1.449    255
    576.29   1.442    151
    574.71   1.439    138
    571.04   1.429     99
    567.02   1.419    130
    562.99   1.409     67
    458.13   1.147    163
    454.10   1.137    166
    451.54   1.130     65
    446.17   1.117    291
    442.87   1.109    277
    434.20   1.087    265
    430.42   1.077    241
    422.36   1.057    140
    416.50   1.043    156
    410.16   1.027     33

in CDCl3