2719-27-9

环己甲酰氯(2719-27-9)核磁图(¹HNMR)

产品名称:环己甲酰氯

CAS:2719-27-9

分子式:C7H11ClO

分子量: 146.61

InChI:InChI=1S/C7H11ClO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2

InChIKey: RVOJTCZRIKWHDX-UHFFFAOYSA-N

Smiles:C(Cl)(C1CCCCC1)=O

Mass

MS-NW-4877          
cyclohexanecarbonyl chloride
C7H11ClO            (Mass of molecular ion:    146)

   Source Temperature: 270 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      26.0       1.6
      27.0      10.7
      28.0       1.6
      29.0       6.3
      36.0       3.0
      38.0       1.1
      39.0      12.3
      40.0       2.8
      41.0      32.7
      42.0       3.6
      43.0       2.8
      50.0       1.2
      51.0       2.1
      52.0       1.1
      53.0       5.6
      54.0       9.7
      55.0      59.0
      56.0       6.8
      65.0       1.0
      66.0       1.1
      67.0      14.6
      68.0       7.8
      69.0       1.5
      73.0       1.0
      77.0       1.1
      79.0       2.2
      81.0       6.0
      82.0       5.0
      83.0     100.0
      84.0       7.2
      91.0       1.5
     104.0       1.8
     109.0       1.0
     110.0       5.5
     111.0      10.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₁₁ Cl O	0.04 ml : 0.5 ml CDCl₃
cyclohexanecarbonyl chloride

    Assign.     Shift(ppm)

      A             2.735
      B             2.091
      C             1.799
      D             1.66
      E             1.66
      F             1.31
      G             1.26
     
     J(A,E)=11.0HZ. J(A,B)=3.7HZ.

     Hz     ppm     Int.

   1107.91   2.773    245
   1104.25   2.764    504
   1100.59   2.754    264
   1096.92   2.745    508
   1093.26   2.736   1000
   1089.72   2.727    521
   1085.94   2.718    263
   1082.28   2.709    510
   1078.74   2.700    265
    849.12   2.125     97
    847.90   2.122    187
    844.48   2.114    465
    843.26   2.110    441
    840.94   2.105    494
    839.84   2.102    421
    838.50   2.099    277
    837.16   2.095    278
    836.06   2.092    281
    834.96   2.090    256
    832.28   2.083    451
    831.05   2.080    531
    829.96   2.077    467
    828.86   2.074    514
    827.51   2.071    556
    823.97   2.062    234
    734.62   1.839    114
    734.25   1.838    114
    732.91   1.834     92
    730.47   1.828    355
    726.93   1.819    460
    726.20   1.818    463
    722.78   1.809    411
    717.04   1.795    519
    713.26   1.785    593
    710.94   1.779    394
    709.84   1.777    388
    706.67   1.769    113
    676.15   1.692     96
    674.80   1.689    182
    672.24   1.683    259
    671.26   1.680    327
    669.68   1.676    232
    668.09   1.672    219
    667.24   1.670    234
    666.14   1.667    202
    663.94   1.662    195
    661.99   1.657    270
    660.89   1.654    263
    660.16   1.652    247
    659.06   1.650    237
    657.84   1.647    189
    656.01   1.642    208
    655.15   1.640    210
    652.59   1.633     79
    651.25   1.630     90
    632.57   1.583    192
    629.27   1.575    228
    621.34   1.555    413
    617.55   1.546    528
    608.76   1.524    429
    607.18   1.520    462
    606.45   1.518    463
    605.35   1.515    453
    597.05   1.494    202
    593.63   1.486    255
    550.17   1.377    182
    547.00   1.369    257
    543.82   1.361    106
    541.87   1.356     62
    538.45   1.348    397
    537.23   1.345    266
    535.16   1.340    603
    532.35   1.333    300
    531.74   1.331    279
    526.61   1.318    319
    525.88   1.316    347
    524.90   1.314    373
    523.19   1.310    596
    522.34   1.307    595
    521.00   1.304    403
    516.60   1.293    145
    513.92   1.286    578
    512.94   1.284    550
    510.99   1.279    731
    507.81   1.271    146
    505.37   1.265    207
    504.76   1.264    176
    502.56   1.258    452
    499.39   1.250    237
    496.95   1.244     56
    496.34   1.242     57
    494.02   1.237    124
    490.97   1.229    288
    488.53   1.223    119
    487.67   1.221    122
    482.67   1.208     49
    479.37   1.200    102
    475.95   1.191     58

in CDCl3