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15356-62-4

氧基乙酰氯(15356-62-4)核磁图(1HNMR)

产品名称:氧基乙酰氯

CAS:15356-62-4

分子式:C12H21ClO2

分子量: 232.75

InChI:InChI=1S/C12H21ClO2/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3/t9-,10+,11-/m1/s1

InChIKey: VNMCKLVHDJADEB-OUAUKWLOSA-N

Smiles:C(Cl)(CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C)=O

  • 图谱
    Mass

    MS-NW-1474          
    (-)-menthoxyacetyl chloride
    C12H21ClO2          (Mass of molecular ion:    232)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       1.2
          17.0       1.0
          18.0       4.9
          27.0      23.1
          28.0      17.6
          29.0      21.6
          30.0       4.9
          31.0       2.7
          32.0       1.1
          35.0       1.7
          36.0      12.6
          38.0       4.0
          39.0      23.4
          40.0       4.3
          41.0      74.5
          42.0       8.1
          43.0      37.7
          44.0       6.8
          45.0       2.0
          49.0       5.7
          51.0       3.5
          52.0       2.1
          53.0      16.7
          54.0      12.4
          55.0      93.9
          56.0      21.9
          57.0      38.0
          58.0       2.0
          63.0       1.0
          65.0       4.1
          66.0       2.0
          67.0      45.6
          68.0      19.5
          69.0      56.3
          70.0       9.8
          71.0       7.5
          75.0       3.6
          77.0       6.7
          78.0       1.4
          79.0       9.9
          80.0       9.6
          81.0     100.0
          82.0      40.6
          83.0      93.0
          84.0       7.6
          85.0       5.4
          89.0      20.0
          90.0       1.3
          91.0       8.1
          93.0       5.4
          94.0       7.2
          95.0      87.3
          96.0      25.3
          97.0      15.8
          98.0       2.2
          99.0       1.1
         103.0       1.8
         105.0       1.7
         107.0       1.3
         109.0      11.2
         110.0       5.1
         111.0       2.7
         112.0       2.4
         117.0       1.3
         119.0       5.2
         121.0       2.4
         123.0      37.0
         124.0       3.7
         129.0       2.1
         137.0       2.7
         138.0      31.2
         139.0      45.4
         140.0       5.0
         147.0      15.1
         148.0       1.1
         149.0       4.9
         161.0       1.2
         169.0       1.4
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C12 H21 Cl O2 0.05 ml : 0.5 ml CDCl3
    (-)-menthoxyacetyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 4.470 B *1 4.444 C 3.233 D 2.257 E 2.040 F 1.65 G 1.35 J 1.27 K 1.01 to 0.82 L 0.929 M *2 0.907 N *2 0.791 J(A,B)=-18.5HZ. J(C,E)=4.3HZ. J(D,J)=2.6HZ. ASSIGNED BY H-H COSY. 90MHZ : HSP-03-394

         Hz     ppm     Int.
    

       1801.88   4.509    126
       1783.33   4.463    803
       1781.13   4.457     55
       1778.56   4.451    799
       1760.13   4.405    122
       1304.44   3.264     79
       1300.17   3.254     79
       1293.82   3.238    134
       1289.55   3.227    127
       1283.20   3.211     83
       1278.93   3.201     78
        911.13   2.280     58
        908.57   2.274     59
        904.05   2.263     79
        901.49   2.256     78
        897.09   2.245     62
        894.53   2.239     61
        887.45   2.221     30
        825.68   2.067     45
        823.73   2.062     51
        821.41   2.056     69
        819.58   2.051     67
        818.12   2.048     55
        816.28   2.043     49
        813.60   2.036     50
        811.65   2.031     54
        809.45   2.026     69
        807.62   2.021     65
        806.03   2.017     47
        804.08   2.012     41
        674.19   1.687     31
        671.51   1.681     62
        668.58   1.673    103
        664.92   1.664    132
        661.25   1.655    122
        658.81   1.649     87
        657.59   1.646     92
        654.42   1.638    135
        651.37   1.630    128
        648.19   1.622     94
        645.26   1.615     40
        551.27   1.380     31
        547.85   1.371     37
        546.14   1.367     42
        544.68   1.363     35
        542.72   1.358     53
        539.43   1.350     57
        536.13   1.342     57
        534.18   1.337     42
        532.84   1.334     43
        530.76   1.329     46
        527.59   1.321     46
        524.17   1.312     43
        522.09   1.307     52
        519.04   1.299     63
        516.24   1.292     49
        511.84   1.281     47
        509.77   1.276     70
        509.28   1.275     69
        508.67   1.273     69
        507.20   1.270     71
        506.35   1.267     76
        503.91   1.261     49
        499.63   1.251     48
        496.34   1.242     57
        493.65   1.236     40
        412.35   1.032     33
        408.33   1.022     44
        399.78   1.001     54
        398.32   0.997     92
        395.26   0.990     80
        391.48   0.980     39
        389.77   0.976     47
        385.86   0.966    125
        382.69   0.958    134
        381.23   0.954    161
        374.88   0.939    906
        368.29   0.922    947
        366.09   0.917   1000
        362.43   0.907    195
        359.01   0.899    982
        352.54   0.883     47
        350.83   0.878     48
        346.31   0.867    142
        344.48   0.862     91
        343.63   0.860     92
        337.65   0.845     30
        335.21   0.839     80
        333.74   0.836     71
        331.91   0.831     70
        329.71   0.825     56
        326.90   0.818     35
        319.82   0.801    977
        312.99   0.784    972
        306.76   0.768     32
    

  • 图谱

    1H NMR 89.56 MHz
    C12 H21 Cl O2 0.04 ml : 0.5 ml CDCl3
    (-)-menthoxyacetyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 4.450 B *1 4.447 C 3.22 D 2.24 E 2.00 F 1.65 G 1.47 to 0.69 J 0.937 K *2 0.912 L *2 0.795 400MHZ : HSP-41-836

         Hz     ppm     Int.
    

        398.44   4.449   1000
        291.31   3.253     43
        287.25   3.208     37
        281.50   3.144     33
        203.19   2.269     34
        201.13   2.246     34
        196.44   2.194     30
        194.25   2.169     32
        193.88   2.165     32
        189.94   2.121     36
        189.06   2.111     39
        187.81   2.098     32
        187.06   2.089     35
        178.94   1.998     31
        178.56   1.994     33
        178.19   1.990     30
        176.56   1.972     34
        153.44   1.714     60
        151.94   1.697     67
        150.06   1.676     32
        149.44   1.669     33
        148.88   1.663     32
        143.94   1.608     96
        125.69   1.404     30
        118.38   1.322     33
        118.00   1.318     34
        117.69   1.315     35
        116.56   1.302     41
        115.56   1.291     41
        114.56   1.280     47
        113.88   1.272     48
        112.69   1.259     42
        111.94   1.250     41
        111.31   1.243     38
        108.69   1.214     32
        108.13   1.208     33
        106.38   1.188     46
        105.19   1.175     42
        103.88   1.160     46
        103.75   1.159     46
        102.88   1.149     38
        102.44   1.144     38
        101.50   1.134     34
        101.00   1.128     30
         97.13   1.085     67
         94.69   1.058     45
         93.94   1.049     43
         92.31   1.031     48
         86.00   0.961    615
         84.81   0.947    690
         80.06   0.894    326
         77.75   0.869    541
         74.31   0.830    649
         71.69   0.801     59
         70.88   0.792     43
         69.69   0.779     41
         67.44   0.754    521
         64.56   0.721     33
         63.38   0.708     41
    

in CDCl3

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CCl4 solution

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liquid film

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