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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

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    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

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

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KBr disc

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liquid film

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nujol mull

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