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637-64-9

四氢糠醇乙酸酯(637-64-9)核磁图(13CNMR)

产品名称:四氢糠醇乙酸酯

CAS:637-64-9

分子式:C7H12O3

分子量: 144.17

InChI:InChI=1S/C7H12O3/c1-6(8)10-5-7-3-2-4-9-7/h7H,2-5H2,1H3

InChIKey: AAQDYYFAFXGBFZ-UHFFFAOYSA-N

Smiles:C(C1OCCC1)OC(=O)C

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    Mass

    MS-NW-1487          
    tetrahydrofurfuryl acetate
    C7H12O3             (Mass of molecular ion:    144)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       5.5
          27.0       9.4
          28.0       2.2
          29.0       4.2
          31.0       2.0
          39.0       5.7
          40.0       1.1
          41.0      16.2
          42.0       7.9
          43.0      50.1
          44.0       2.0
          54.0       2.5
          55.0       2.5
          56.0       1.2
          57.0       1.0
          70.0       1.8
          71.0     100.0
          72.0       5.1
          73.0       1.4
          83.0       1.0
          84.0       9.1
          85.0       1.1
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H12 O3 0.05 ml : 0.5 ml CDCl3
    tetrahydrofurfuryl acetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 4.15 B 4.12 C *1 3.995 D *2 3.889 E *2 3.801 F 2.087 G *3 2.01 J 1.92 K *3 1.615 A AND B WERE CONFIRMED BY LAOCN PROGRAM. ASSINED BY H-H COSY. 90MHZ :HSP-03-415

         Hz     ppm     Int.
    

       1665.89   4.169    103
       1662.35   4.160    138
       1656.37   4.145     66
       1655.03   4.142     55
       1653.44   4.138     92
       1652.10   4.134    201
       1650.88   4.131    173
       1648.44   4.125     45
       1644.78   4.116    101
       1641.36   4.107     73
       1637.82   4.099     42
       1634.28   4.090     36
       1605.22   4.017     47
       1603.27   4.012     80
       1597.29   3.997    148
       1592.90   3.986    136
       1587.04   3.972     53
       1566.16   3.919     57
       1559.33   3.902    101
       1557.86   3.899     99
       1552.86   3.886     65
       1550.90   3.881    149
       1544.43   3.865     81
       1528.69   3.826     72
       1522.58   3.810     81
       1521.73   3.808     97
       1515.38   3.792     83
       1514.40   3.790     68
       1513.43   3.787     75
       1507.08   3.771     47
        840.82   2.104     35
        834.35   2.088   1000
        830.93   2.080     53
        821.78   2.057     35
        816.89   2.045    176
        815.19   2.040     39
        813.48   2.036     37
        809.69   2.026     47
        808.23   2.023     44
        806.88   2.019     44
        804.93   2.015     34
        802.86   2.009     30
        801.27   2.005     67
        798.46   1.998     31
        797.97   1.997     32
        796.39   1.993     52
        794.31   1.988     34
        789.31   1.976     50
        783.20   1.960     52
        780.27   1.953     33
        779.42   1.951     44
        778.81   1.949     38
        777.22   1.945     62
        776.49   1.943     62
        775.15   1.940     62
        772.34   1.933    123
        770.26   1.928     71
        768.92   1.924     81
        765.87   1.917    104
        765.26   1.915    102
        763.79   1.912     83
        761.96   1.907     61
        760.50   1.903     35
        758.67   1.899     56
        757.57   1.896     68
        756.96   1.895     67
        750.49   1.878     36
        661.25   1.655     33
        654.42   1.638     57
        652.95   1.634     34
        652.47   1.633     34
        649.41   1.625     33
        647.58   1.621     37
        645.63   1.616     58
        642.21   1.607     52
        641.11   1.605     37
        638.79   1.599     36
        634.03   1.587     47
    

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    1H NMR 89.56 MHz
    C7 H12 O3 0.04 ml : 0.5 ml CDCl3
    tetrahydrofurfuryl acetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.22 to 3.94 B 3.94 to 3.76 C 2.087 D 2.03 to 1.81 E 1.66 400MHZ : HSP-41-837

         Hz     ppm     Int.
    

        377.75   4.218     43
        368.69   4.117     82
        367.69   4.106     46
        366.25   4.090     85
        365.44   4.081     84
        364.31   4.068    147
        361.44   4.036     54
        352.81   3.940     76
        349.44   3.902     37
        346.31   3.867     63
        345.38   3.857     40
        342.50   3.825     62
        339.88   3.795     43
        336.56   3.758     42
        187.00   2.088   1000
        184.00   2.055    108
        180.88   2.020     31
        177.50   1.982     70
        176.75   1.974     73
        176.00   1.966     66
        173.19   1.934     37
        170.94   1.909     84
        170.31   1.902     81
        166.00   1.854     31
        165.38   1.847     41
        164.31   1.835     67
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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