453-20-3

3-羥基四氫呋喃(453-20-3)核磁圖(¹HNMR)

產(chǎn)品名稱:3-羥基四氫呋喃

CAS:453-20-3

分子式:C4H8O2

分子量: 88.11

InChI:InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2

InChIKey: XDPCNPCKDGQBAN-UHFFFAOYSA-N

Smiles:O1CCC(O)C1

Mass

MS-NW-8554          
tetrahydrofuran-3-ol
C4H8O2              (Mass of molecular ion:     88)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      14.0       1.2
      15.0       4.5
      18.0       1.7
      26.0       2.6
      27.0      10.9
      28.0      16.1
      29.0      28.4
      30.0      18.8
      31.0      40.6
      32.0       8.1
      33.0       1.2
      38.0       1.4
      39.0      10.5
      40.0       8.5
      41.0      11.0
      42.0       9.1
      43.0      19.6
      44.0      15.4
      45.0       5.1
      55.0       2.0
      56.0       2.2
      57.0     100.0
      58.0      82.2
      59.0       4.6
      60.0       7.7
      61.0       1.0
      69.0       1.4
      70.0      15.5
      71.0       2.7
      87.0       1.4
      88.0      10.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₈ O₂	0.05 ml : 0.5 ml CDCl₃
tetrahydrofuran-3-ol

    Assign.     Shift(ppm)

      A             4.457
      B             4.04
      C             3.948
      D             3.824
      E     *1      3.769
      F     *1      3.712
      G             2.053
      J             1.896
     
     J(C,D)=-8.7HZ
     J(C,G)=7.0HZ
     J(C,J)=8.7HZ
     J(D,J)=4.2HZ
     J(E,F)=-9.7HZ
     J(E,A)=4.2HZ
     J(G,D)=J(G,A)=8.7HZ
     J(G,J)=-13.2HZ
     ASSIGNED BY H-H COSY.

     Hz     ppm     Int.

   1797.85   4.499     32
   1795.65   4.494     35
   1793.70   4.489     43
   1791.87   4.484     49
   1788.21   4.475    205
   1786.38   4.470    369
   1784.42   4.465    370
   1782.23   4.460    508
   1780.64   4.456    540
   1778.69   4.451    403
   1776.49   4.446    394
   1774.54   4.441    254
   1769.41   4.428     35
   1614.01   4.039    738
   1602.42   4.010     88
   1596.44   3.995     46
   1595.09   3.992     53
   1593.38   3.987     65
   1590.58   3.980    291
   1586.43   3.970     71
   1583.62   3.963    343
   1582.15   3.959    610
   1578.13   3.949     80
   1575.20   3.942    591
   1573.61   3.938    513
   1566.65   3.921    398
   1562.26   3.910     56
   1555.30   3.892     38
   1554.81   3.891     37
   1553.47   3.888     34
   1552.86   3.886     34
   1549.80   3.878     47
   1548.22   3.874     42
   1547.00   3.871     41
   1545.78   3.868     50
   1541.26   3.857     69
   1538.45   3.850    419
   1534.30   3.840    440
   1529.79   3.828    632
   1525.76   3.818    661
   1521.48   3.808    360
   1517.46   3.797    355
   1514.65   3.790    562
   1510.50   3.780    508
   1505.00   3.766    985
   1500.85   3.756   1000
   1493.41   3.737     76
   1489.01   3.726    581
   1487.18   3.722    782
   1486.08   3.719    754
   1479.37   3.702    289
   1477.91   3.699    395
   1477.54   3.698    396
   1476.56   3.695    382
   1468.02   3.674     30
   1467.53   3.673     30
   1466.43   3.670     32
    839.72   2.102    172
    836.79   2.094     43
    833.98   2.087    183
    831.05   2.080    328
    826.54   2.069    291
    825.32   2.066    369
    822.39   2.058    207
    820.80   2.054    285
    817.87   2.047    474
    816.77   2.044    276
    812.13   2.033    459
    809.20   2.025    266
    803.47   2.011    236
    774.66   1.939     33
    770.26   1.928    156
    769.29   1.925    192
    768.43   1.923    212
    767.46   1.921    212
    766.36   1.918    213
    765.26   1.915    218
    764.40   1.913    229
    763.31   1.910    320
    762.45   1.908    254
    761.60   1.906    238
    760.50   1.903    225
    759.40   1.901    214
    758.42   1.898    218
    757.32   1.895    285
    756.23   1.893    296
    755.37   1.891    211
    754.27   1.888    177
    753.17   1.885    162
    752.20   1.883    162
    751.22   1.880    166
    750.24   1.878    228
    749.27   1.875    179
    748.41   1.873    166
    747.31   1.870    155
    746.34   1.868    147
    745.24   1.865    146
    744.38   1.863    145
    743.29   1.860    136

in CDCl3