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100-72-1

四氢吡喃-2-甲醇(100-72-1)质谱(MS)

产品名称:四氢吡喃-2-甲醇

CAS:100-72-1

分子式:C6H12O2

分子量: 116.16

InChI:InChI=1S/C6H12O2/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2

InChIKey: ROTONRWJLXYJBD-UHFFFAOYSA-N

Smiles:C1(CO)OCCCC1

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    Mass

    MS-NW-1261          
    tetrahydropyran-2-methanol
    C6H12O2             (Mass of molecular ion:    116)
    

       Source Temperature: 250 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       1.6
          26.0       1.2
          27.0      10.3
          28.0       5.9
          29.0      26.0
          30.0       1.0
          31.0      15.5
          32.0       2.7
          39.0       6.8
          40.0       1.6
          41.0      38.5
          42.0       2.3
          43.0      25.2
          44.0       2.2
          45.0       1.4
          53.0       1.7
          55.0      11.8
          56.0       4.3
          57.0      22.8
          58.0       1.2
          67.0      19.5
          68.0       1.3
          84.0       3.4
          85.0     100.0
          86.0       5.6
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H12 O2 0.05 ml : 0.5 ml CDCl3
    tetrahydropyran-2-methanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.006 B *1 3.53 C *1 3.51 D 3.46 E 3.42 F 3.21 G 1.851 J 1.60 to 1.48 K 1.320 ASSIGNED BY H-H COSY. J(B,C)=-11.5HZ J(B,E)=3.8HZ

         Hz     ppm     Int.
    

       1610.47   4.030    118
       1608.52   4.025    193
       1606.81   4.021    247
       1605.10   4.017    175
       1599.24   4.002    140
       1597.53   3.998    233
       1595.46   3.993    236
       1593.51   3.988    213
       1593.14   3.987    213
       1423.71   3.563    114
       1419.92   3.553    151
       1412.23   3.534    540
       1408.20   3.524   1000
       1401.61   3.508    793
       1396.48   3.495    133
       1394.41   3.490    202
       1393.31   3.487    144
       1391.48   3.482    296
       1390.14   3.479    363
       1383.18   3.461    337
       1380.25   3.454    465
       1377.81   3.448    184
       1375.98   3.443    197
       1374.02   3.439    164
       1371.70   3.433    336
       1368.90   3.426    283
       1366.82   3.421    223
       1365.72   3.418    199
       1362.92   3.411    154
       1360.47   3.405    184
       1358.40   3.399    123
       1356.57   3.395    120
       1354.61   3.390     94
       1283.69   3.213    202
        749.51   1.876    135
        747.44   1.871    149
        745.36   1.866    202
        742.68   1.859    154
        740.11   1.852    172
        737.92   1.847    148
        737.43   1.846    149
        735.47   1.841    151
        733.76   1.837    151
        732.18   1.833    132
        731.08   1.830    105
        641.36   1.605     89
        640.63   1.603     98
        637.82   1.596    119
        637.08   1.595    110
        636.23   1.592    104
        635.13   1.590     71
        633.54   1.586    106
        631.23   1.580     65
        630.00   1.577     96
        629.15   1.575    102
        627.93   1.572    188
        626.59   1.568    136
        625.85   1.566    146
        623.66   1.561    230
        621.70   1.556    164
        620.00   1.552    234
        616.58   1.543    366
        615.11   1.540    437
        614.62   1.538    435
        613.40   1.535    535
        611.82   1.531    660
        610.47   1.528    640
        609.25   1.525    656
        608.64   1.523    668
        607.06   1.519    439
        604.98   1.514    238
        603.52   1.511    200
        601.44   1.505    268
        598.88   1.499    469
        598.14   1.497    444
        596.68   1.494    389
        595.09   1.490    382
        592.16   1.482    115
        591.19   1.480    154
        586.43   1.468     90
        582.52   1.458    109
        578.74   1.449     61
        547.00   1.369     83
        544.80   1.364     75
        542.97   1.359     80
        541.50   1.355     51
        540.28   1.352     53
        538.09   1.347     54
        535.77   1.341    111
        533.20   1.335    237
        529.54   1.326    160
        526.25   1.317     51
        521.73   1.306    226
        518.43   1.298    116
        517.58   1.296    111
        515.99   1.292     62
        510.62   1.278     57
        508.42   1.273     58
    

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    1H NMR 89.56 MHz
    C6 H12 O2 0.04 ml : 0.5 ml CDCl3
    tetrahydropyran-2-methanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.01 B 3.55 C 3.50 D 3.46 E 3.42 F 2.77 G 1.86 J 1.64 to 1.45 N 1.32 THE SHIFT VALUES WERE OBTAINED AT 400 MHZ.

         Hz     ppm     Int.
    

        368.56   4.116     47
        366.50   4.093    117
        364.94   4.075    101
        363.13   4.055    123
        361.38   4.036     51
        357.00   3.987     88
        355.25   3.967    149
        353.44   3.947    225
        326.81   3.650     32
        325.50   3.635     50
        324.75   3.627     39
        324.19   3.620     36
        323.56   3.613     37
        321.38   3.589    147
        317.94   3.551    313
        314.44   3.511   1000
        309.13   3.452    220
        308.19   3.442    225
        306.38   3.421    176
        305.00   3.406    236
        303.69   3.391    233
        299.50   3.345    113
        298.63   3.335    108
        296.63   3.313    111
        243.63   2.721    576
        238.31   2.661     39
        237.94   2.657     35
        174.25   1.946     44
        172.31   1.924     55
        170.44   1.904     90
        169.06   1.888    112
        168.19   1.878    101
        167.81   1.874    102
        166.19   1.856    131
        164.50   1.837    127
        162.75   1.818     85
        162.00   1.809     80
        161.00   1.798    100
        159.56   1.782     86
        158.13   1.766     69
        157.06   1.754     59
        156.63   1.749     59
        155.94   1.742     63
        154.88   1.730     90
        152.38   1.702    118
        149.38   1.668    114
        149.06   1.665    114
        147.19   1.644    118
        146.63   1.638    118
        145.69   1.627    135
        144.19   1.610    180
        142.94   1.597    251
        140.31   1.567    431
        138.25   1.544    457
        136.44   1.524    373
        135.06   1.509    486
        134.63   1.504    486
        131.94   1.474    633
        124.69   1.393    189
        121.19   1.354    101
        119.50   1.335     95
        118.56   1.324     93
        118.25   1.321     93
        116.38   1.300     67
        115.38   1.289     60
        113.81   1.271     50
        113.50   1.268     46
        112.81   1.260     47
        111.06   1.241     50
        109.69   1.225     40
        109.31   1.221     37
        108.38   1.211     41
        108.00   1.206     41
        106.75   1.192     34
        106.25   1.187     34
    

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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