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75-56-9

环氧丙烷(75-56-9)核磁图(13CNMR)

产品名称:环氧丙烷

CAS:75-56-9

分子式:C3H6O

分子量: 58.08

InChI:InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3

InChIKey: GOOHAUXETOMSMM-UHFFFAOYSA-N

Smiles:O1CC1C

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    Mass

    MS-NW-0785          
    2-methyloxirane
    C3H6O               (Mass of molecular ion:     58)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          14.0       3.0
          15.0      10.8
          25.0       1.7
          26.0      27.7
          27.0      49.8
          28.0     100.0
          29.0      36.1
          30.0       5.6
          31.0      31.6
          37.0       1.9
          38.0       2.6
          39.0       6.2
          40.0       1.3
          41.0       2.9
          42.0       3.6
          43.0      37.0
          55.0       1.3
          57.0       7.8
          58.0      81.4
          59.0       2.8
    

90 MHz in CDCl3

parameter neat

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    1H NMR 89.56 MHz
    C3 H6 O 0.04 ml : 0.5 ml CDCl3
    2-methyloxirane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.979 B 2.745 C 2.427 D 1.316

         Hz     ppm     Int.
    

        278.50   3.110     32
        275.81   3.080     38
        274.56   3.066     48
        273.25   3.052     93
        271.88   3.036     54
        270.56   3.021    100
        269.31   3.008    132
        268.13   2.994     99
        266.63   2.978    137
        265.44   2.964    106
        264.19   2.950    142
        263.13   2.939     47
        261.50   2.920    145
        260.44   2.908     47
        259.19   2.895     63
        256.50   2.865     63
        250.69   2.800    160
        250.19   2.794    160
        249.63   2.788     67
        246.75   2.756    127
        246.19   2.749    170
        245.63   2.743    244
        245.06   2.737    222
        244.56   2.731     92
        241.69   2.699    162
        241.13   2.693    150
        240.63   2.687     56
        220.94   2.467    228
        220.63   2.464    212
        218.25   2.437    214
        217.94   2.434    200
        215.81   2.410    164
        215.50   2.407    160
        213.19   2.381    148
        212.81   2.377    146
        120.50   1.346   1000
        118.06   1.319     51
        115.38   1.289    967
    

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    1H NMR 300 MHz
    C3 H6 O neat
    2-methyloxirane
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 2.849 D(B) 2.589 D(C) 2.279 D(D) 1.214 J(A,B) 3.88 J(A,C) 2.57 J(A,D) 5.14 J(B,C) 5.37 J(B,D) 0.52 J(C,D) -0.36 ELLEMAN,D.D. ET AL. J.CHEM.PHYS. 42, 650 (1965)

         Hz     ppm     Int.
    

        865.73   2.886     29
        863.16   2.877     34
        861.82   2.873     42
        860.60   2.869     92
        859.28   2.864     49
        858.03   2.860    100
        856.71   2.856    109
        855.45   2.851    104
        854.15   2.847    113
        852.89   2.843    107
        851.58   2.839    108
        850.34   2.834     49
        849.02   2.830    105
        847.77   2.826     43
        846.45   2.821     39
        843.89   2.813     35
        781.55   2.605    137
        781.15   2.604    138
        777.20   2.591    157
        776.25   2.587    178
        772.30   2.574    141
        771.91   2.573    140
        687.58   2.292    186
        685.03   2.283    184
        682.21   2.274    170
        679.66   2.266    161
        366.76   1.223   1000
        361.63   1.205    981
    

in CDCl3

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CCl4 solution

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liquid film

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