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返回ChemicalBook首页>CAS数据库列表>1120-97-4更多图谱> 4-甲基-1,3-二氧六环(1120-97-4)核磁图(13CNMR)

1120-97-4

4-甲基-1,3-二氧六环(1120-97-4)核磁图(13CNMR)

分子式:C5H10O2

分子量: 102.13

InChI:InChI=1S/C5H10O2/c1-5-2-3-6-4-7-5/h5H,2-4H2,1H3

InChIKey: INCCMBMMWVKEGJ-UHFFFAOYSA-N

Smiles:O1CCC(C)OC1

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    Mass

    MS-NW-1123          
    4-methyl-1,3-dioxane
    C5H10O2             (Mass of molecular ion:    102)
    

       Source Temperature: 240 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       5.2
          18.0       2.7
          19.0       1.3
          26.0       3.7
          27.0      20.5
          28.0      38.4
          29.0      21.0
          30.0      11.3
          31.0      47.6
          32.0       2.8
          38.0       1.4
          39.0      11.6
          40.0       3.7
          41.0      22.8
          42.0      37.0
          43.0     100.0
          44.0      16.1
          45.0      40.3
          53.0       1.3
          55.0      67.3
          56.0       3.1
          57.0      22.6
          58.0      17.2
          59.0       2.0
          71.0       4.8
          72.0      59.7
          73.0       3.0
          87.0      19.3
         101.0      73.4
         102.0       4.4
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C5 H10 O2 0.05 ml : 0.5 ml CDCl3
    4-methyl-1,3-dioxane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.027 B 4.699 C 4.078 D 3.73 E 3.70 F 1.736 G 1.479 J 1.231

         Hz     ppm     Int.
    

       2012.33   5.036    181
       2005.98   5.020    202
       1881.23   4.708    423
       1875.00   4.692    398
       1638.55   4.100     87
       1633.54   4.088     88
       1627.08   4.072    102
       1625.85   4.069     68
       1623.29   4.062     65
       1622.07   4.059    102
       1494.51   3.740     67
       1492.31   3.735    128
       1489.75   3.728    149
       1488.40   3.725     84
       1485.96   3.719     70
       1483.64   3.713     77
       1479.98   3.704    186
       1477.42   3.697    195
       1468.63   3.675    101
       1466.06   3.669     98
        715.21   1.790     48
        710.33   1.778     49
        704.22   1.763     51
        702.88   1.759     58
        701.90   1.757     71
        699.22   1.750     52
        697.88   1.747     57
        697.02   1.745     70
        691.89   1.732     55
        690.92   1.729     72
        689.58   1.726     70
        687.01   1.720     56
        685.91   1.717     71
        684.69   1.714     65
        678.59   1.698     62
        673.71   1.686     60
        600.83   1.504     41
        599.85   1.501     53
        599.24   1.500     58
        598.39   1.498    115
        597.41   1.495    105
        596.80   1.494    105
        595.83   1.491    125
        594.85   1.489     68
        593.38   1.485     51
        587.40   1.470     40
        586.55   1.468     48
        585.94   1.467     51
        584.96   1.464     97
        583.98   1.462     86
        583.50   1.461     84
        582.52   1.458     98
        581.54   1.456     52
        580.93   1.454     45
        580.08   1.452     38
        495.36   1.240    961
        489.01   1.224   1000
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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