1-乙基-3-羥基-四氫吡咯(30727-14-1)核磁圖(¹³CNMR)

產(chǎn)品名稱:1-乙基-3-羥基-四氫吡咯

CAS:30727-14-1

分子式:C6H13NO

分子量: 115.17

InChI:InChI=1S/C6H13NO/c1-2-7-4-3-6(8)5-7/h6,8H,2-5H2,1H3

InChIKey: IDBNECMSCRAUNU-UHFFFAOYSA-N

Smiles:N1(CC)CCC(O)C1

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-3437          
1-ethyl-3-pyrrolidinol
C6H13NO             (Mass of molecular ion:    115)

   Source Temperature: 270 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       1.6
      15.0      11.8
      17.0       1.4
      18.0       4.5
      26.0       8.1
      27.0      37.0
      28.0      34.4
      29.0      23.1
      30.0      23.5
      31.0       6.4
      37.0       1.8
      38.0       3.9
      39.0      16.6
      40.0       6.1
      41.0      26.3
      42.0      85.4
      43.0     100.0
      44.0      27.8
      45.0       1.4
      50.0       2.5
      51.0       4.4
      52.0       2.9
      53.0       4.8
      54.0       6.3
      55.0       7.3
      56.0      17.7
      57.0       9.0
      58.0      22.5
      59.0       1.6
      63.0       1.5
      65.0       4.5
      66.0       1.5
      67.0       4.8
      68.0      12.7
      69.0       2.4
      70.0       7.5
      71.0      55.4
      72.0       6.8
      77.0       1.8
      78.0       1.3
      79.0       1.5
      80.0       9.8
      81.0       1.5
      82.0      18.4
      83.0       1.4
      84.0       1.9
      85.0       1.9
      86.0       2.3
      89.0       1.0
      91.0      29.8
      92.0       2.9
      93.0       1.0
      94.0       1.9
      95.0       6.1
      96.0      11.0
      97.0       6.2
      98.0       2.3
     100.0      76.0
     101.0       4.5
     114.0       9.8
     115.0      23.2
     116.0       1.7
     120.0       3.9
     134.0       1.9
     135.0       1.1
     148.0       3.5
     157.0       2.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₃ N O	0.05 ml : 0.5 ml CDCl₃
1-ethyl-3-pyrrolidinol

    Assign.     Shift(ppm)

      A             4.9
      B             4.332
      C     *1      2.789
      D             2.631
      E             2.577
      F             2.488
      G     *1      2.365
      J     *2      2.174
      K     *2      1.714
      L             1.109
     
     J(D,E)=10.2HZ. J(D,B)=5.9HZ. J(E,B)=3.1HZ.

     Hz     ppm     Int.

   1740.97   4.357     53
   1737.92   4.349     98
   1734.99   4.342     98
   1733.28   4.337     80
   1732.18   4.335    109
   1730.22   4.330    110
   1729.13   4.327     79
   1727.42   4.323     94
   1724.49   4.316     90
   1721.31   4.308     46
   1126.22   2.819     67
   1120.61   2.804     79
   1117.43   2.797    105
   1111.69   2.782    110
   1109.01   2.775     83
   1103.27   2.761     74
   1061.28   2.656    113
   1055.42   2.641    112
   1051.03   2.630    230
   1045.29   2.616    229
   1034.79   2.590    182
   1031.62   2.582    180
   1024.54   2.564     90
   1021.48   2.556     85
   1005.86   2.517    122
   1005.00   2.515    122
    998.54   2.499    343
    997.80   2.497    333
    991.21   2.481    350
    990.60   2.479    350
    987.06   2.470     38
    983.40   2.461    138
    957.15   2.395     77
    950.68   2.379     95
    948.73   2.374    121
    942.26   2.358    122
    939.58   2.352     95
    933.23   2.336     86
    886.23   2.218     51
    880.62   2.204     57
    878.30   2.198     74
    872.80   2.184    121
    870.36   2.178     55
    867.07   2.170     69
    864.75   2.164    114
    859.25   2.151     79
    856.81   2.144     52
    851.20   2.130     42
    699.34   1.750     45
    696.53   1.743     47
    692.87   1.734     54
    691.04   1.730     63
    688.60   1.724     57
    685.55   1.716     68
    682.50   1.708     67
    679.32   1.700     48
    677.00   1.694     53
    675.05   1.690     43
    671.51   1.681     35
    668.58   1.673     32
    454.96   1.139     65
    452.76   1.133    138
    450.20   1.127    569
    447.75   1.121     87
    442.99   1.109   1000
    438.48   1.098     59
    435.67   1.091    500

in CDCl3