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1464-53-5

双环氧化丁二烯(1464-53-5)质谱(MS)

产品名称:双环氧化丁二烯

CAS:1464-53-5

分子式:C4H6O2

分子量: 86.09

InChI:InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2

InChIKey: ZFIVKAOQEXOYFY-UHFFFAOYSA-N

Smiles:O1CC1C1CO1

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    Mass

    MS-NW-1136          
    1,2:3,4-diepoxybutane
    C4H6O2              (Mass of molecular ion:     86)
    

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

          14.0       4.3
          15.0      13.3
          18.0       1.9
          26.0      21.0
          27.0      50.1
          28.0      52.9
          29.0      50.8
          30.0      32.6
          31.0      43.2
          37.0       1.3
          38.0       2.2
          39.0       7.2
          40.0       1.8
          42.0       5.7
          43.0       7.7
          54.0       1.2
          55.0     100.0
          56.0       8.1
          57.0      16.9
          58.0       2.6
          85.0       1.8
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C4 H6 O2 0.05 ml : 0.5 ml CDCl3
    1,2:3,4-diepoxybutane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.86 B 2.83 C 2.734

         Hz     ppm     Int.
    

       1151.00   2.881    116
       1147.95   2.873    309
       1147.34   2.871    406
       1146.97   2.870    465
       1146.00   2.868    610
       1144.29   2.864    816
       1143.92   2.863    801
       1143.19   2.861    833
       1142.33   2.859   1000
       1141.48   2.857    779
       1140.63   2.855    662
       1139.89   2.853    322
       1138.31   2.849    876
       1137.08   2.846    649
       1135.74   2.842    375
       1134.77   2.840    276
       1133.18   2.836    914
       1132.45   2.834    508
       1131.84   2.833    469
       1131.10   2.831    393
       1130.37   2.829    406
       1129.88   2.828    448
       1129.03   2.826    433
       1125.12   2.816     92
       1124.15   2.813     69
       1122.92   2.810     53
       1121.70   2.807     43
       1121.34   2.806     44
       1120.61   2.804     39
       1120.00   2.803     44
       1100.83   2.755     74
       1096.31   2.744    904
       1095.46   2.742    676
       1094.73   2.740    671
       1093.63   2.737    672
       1091.19   2.731    676
       1090.33   2.729    515
       1088.99   2.725    545
       1088.62   2.724    550
       1084.59   2.714     81
       1078.61   2.699     31
    

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    1H NMR 89.56 MHz
    C4 H6 O2 0.02 ml : 0.5 ml CDCl3
    1,2:3,4-diepoxybutane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.67 to 2.99

         Hz     ppm     Int.
    

        262.25   2.929    205
        261.25   2.918    457
        260.69   2.911    299
        260.31   2.907    337
        259.63   2.899    557
        258.81   2.890    975
        258.25   2.884   1000
        257.06   2.871    710
        256.19   2.861    380
        253.81   2.834    801
        252.69   2.822    584
        250.94   2.802    320
        249.75   2.789    284
        248.50   2.775    917
        247.63   2.765    755
        246.81   2.756    510
        245.75   2.744    526
        244.81   2.734    197
        244.00   2.725    181
        243.63   2.721    211
        242.94   2.713    183
        242.44   2.708    206
        241.56   2.698    203
        240.88   2.690    200
    

in CDCl3

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liquid film

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