2-甲基四氫呋喃(96-47-9)核磁圖(¹HNMR)

產(chǎn)品名稱:2-甲基四氫呋喃

CAS:96-47-9

分子式:C5H10O

分子量: 86.13

InChI:InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3

InChIKey: JWUJQDFVADABEY-UHFFFAOYSA-N

Smiles:O1CCCC1C

Mass

MS-NW-0683          
2-methyltetrahydrofuran
C5H10O              (Mass of molecular ion:     86)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       4.1
      18.0       1.9
      26.0       2.5
      27.0      17.0
      28.0       7.5
      29.0       9.2
      31.0       2.1
      38.0       1.4
      39.0      12.8
      40.0       5.7
      41.0      51.8
      42.0      47.9
      43.0      43.1
      44.0       7.4
      45.0      28.0
      53.0       1.9
      54.0       1.0
      55.0       6.0
      56.0      23.2
      57.0       2.5
      58.0       1.5
      67.0       1.4
      70.0       1.4
      71.0     100.0
      72.0       4.7
      85.0       4.8
      86.0      18.2
      87.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₁₀ O	0.05 ml : 0.5 ml CDCl₃
2-methyltetrahydrofuran

    Assign.     Shift(ppm)

      A             3.937
      B     *1      3.89
      C     *1      3.705
      D     *2      1.99
      E             1.89
      F     *2      1.409
      G             1.229
     
     ASSIGNED BY C-H COSY.
     J(A,D)=6.0HZ
     J(A,F)=7.6HZ
     J(A,G)=6.0HZ
     J(B,C)=-6.5HZ
     J(C,E)=7.8HZ

     Hz     ppm     Int.

   1583.50   3.963     89
   1581.91   3.959     33
   1577.51   3.948    137
   1575.81   3.943     96
   1571.41   3.932    102
   1569.58   3.928    133
   1565.43   3.918    115
   1563.48   3.913     95
   1559.45   3.903    112
   1557.98   3.899    122
   1557.13   3.897    146
   1552.25   3.885    101
   1550.90   3.881    119
   1549.68   3.878    127
   1543.70   3.863    104
   1491.46   3.732     96
   1484.99   3.716    111
   1483.15   3.712    158
   1476.81   3.696    148
   1475.34   3.692     88
   1468.87   3.676     80
    812.13   2.033     37
    807.01   2.020     48
    805.91   2.017     42
    803.71   2.012     51
    803.34   2.011     49
    800.78   2.004     54
    800.17   2.003     52
    798.95   2.000     66
    798.58   1.999     65
    797.49   1.996     56
    797.00   1.995     52
    795.65   1.991     62
    794.07   1.987     45
    792.72   1.984     69
    792.36   1.983     70
    791.75   1.982     70
    789.67   1.976     59
    787.23   1.970    105
    785.52   1.966     47
    784.55   1.964     58
    781.13   1.955     93
    776.00   1.942     66
    774.54   1.939     37
    771.85   1.932     45
    769.78   1.927     65
    768.55   1.924     70
    767.46   1.921     66
    765.38   1.916     74
    764.04   1.912     69
    762.45   1.908     82
    761.11   1.905     71
    760.74   1.904     72
    760.01   1.902     61
    758.42   1.898     83
    756.47   1.893    110
    755.98   1.892     85
    753.66   1.886     52
    753.30   1.885     52
    752.44   1.883     37
    750.85   1.879    110
    750.00   1.877     66
    749.02   1.875     94
    748.54   1.873     99
    746.46   1.868     30
    744.75   1.864     47
    743.16   1.860     74
    742.43   1.858     78
    740.72   1.854     56
    738.77   1.849     41
    737.06   1.845     32
    736.45   1.843     33
    734.74   1.839     45
    580.69   1.453     55
    580.20   1.452     53
    572.75   1.434     91
    571.66   1.431     64
    571.17   1.430     57
    568.85   1.424     58
    568.48   1.423     57
    565.31   1.415     47
    564.70   1.413     51
    563.84   1.411     98
    563.23   1.410     62
    561.04   1.404     97
    559.94   1.402     62
    556.40   1.393     59
    553.34   1.385     58
    552.98   1.384     64
    552.25   1.382     86
    544.56   1.363     34
    500.49   1.253     34
    494.38   1.238   1000
    491.82   1.231     62
    488.28   1.222    966
    485.84   1.216     67

in CDCl3