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2426-08-6

正丁基缩水甘油醚(2426-08-6)质谱(MS)

分子式:C7H14O2

分子量: 130.18

InChI:InChI=1S/C7H14O2/c1-2-3-4-8-5-7-6-9-7/h7H,2-6H2,1H3

InChIKey: YSUQLAYJZDEMOT-UHFFFAOYSA-N

Smiles:O1CC1COCCCC

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    Mass

    MS-NW-0961          
    (butoxymethyl)oxirane
    C7H14O2             (Mass of molecular ion:    130)
    

       Source Temperature: 280 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       6.2
          18.0       1.1
          19.0       1.6
          26.0       3.7
          27.0      35.1
          28.0      12.5
          29.0     100.0
          30.0       6.8
          31.0      79.9
          32.0       1.0
          39.0      12.5
          40.0       3.1
          41.0      65.0
          42.0       6.1
          43.0      21.6
          44.0      10.0
          45.0      21.1
          53.0       1.3
          55.0      54.1
          56.0      28.2
          57.0      89.5
          58.0      43.5
          59.0       3.5
          71.0       3.6
          72.0       1.3
          73.0      18.9
          74.0       1.2
          85.0       1.4
          87.0       4.3
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H14 O2 0.04 ml : 0.5 ml CDCl3
    (butoxymethyl)oxirane
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 3.685 B 3.50 C *1 3.38 D 3.13 E 2.79 F 2.606 G 1.55 J 1.37 K 0.91

         Hz     ppm     Int.
    

        339.69   3.793    171
        336.63   3.759    205
        328.38   3.667    389
        325.31   3.633    469
        319.69   3.570    253
        318.94   3.562    258
        313.13   3.497    638
        310.63   3.469    399
        309.06   3.451     99
        306.56   3.423    444
        305.06   3.407    495
        303.31   3.387     79
        299.38   3.343    102
        293.75   3.280    263
        288.44   3.221    104
        285.63   3.190    164
        284.50   3.177    150
        282.81   3.158    172
        281.75   3.146    202
        280.06   3.128    124
        278.75   3.113    179
        277.25   3.096     95
        276.06   3.083    128
        273.19   3.051     78
        254.56   2.843    234
        249.50   2.786    445
        245.44   2.741    336
        236.50   2.641    390
        233.94   2.613    389
        231.44   2.585    242
        228.75   2.555    215
        147.88   1.652    128
        146.06   1.631    108
        145.50   1.625     98
        142.06   1.587    232
        141.69   1.583    231
        141.06   1.576    245
        140.50   1.569    236
        139.81   1.562    228
        138.13   1.543    228
        135.56   1.514    368
        134.31   1.500    330
        132.56   1.481    320
        131.38   1.467    275
        129.94   1.451    223
        129.00   1.441    250
        127.00   1.419    252
        125.56   1.402    217
        121.69   1.359    200
        118.69   1.326    195
        116.19   1.298    106
        115.63   1.292     98
        112.56   1.257    157
        106.31   1.188     69
         88.94   0.994    524
         85.13   0.951    113
         82.56   0.922   1000
         76.31   0.853    214
         75.00   0.838    222
         73.13   0.817    124
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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