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Chlorocyclohexane

Product Name Chlorocyclohexane

CAS542-18-7

MFC6H11Cl

MW118.6

¹³CNMR

Mass

MS-NW-1285          
chlorocyclohexane
C6H11Cl             (Mass of molecular ion:    118)

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

      15.0       1.1
      26.0       2.0
      27.0      15.7
      28.0       4.6
      29.0       6.6
      32.0       1.0
      38.0       1.6
      39.0      19.1
      40.0       4.0
      41.0      43.7
      42.0       6.3
      43.0       3.5
      49.0       1.3
      50.0       1.9
      51.0       3.3
      52.0       1.5
      53.0       7.8
      54.0      33.5
      55.0      41.6
      56.0       9.8
      62.0       2.5
      65.0       1.4
      66.0       1.5
      67.0     100.0
      68.0       6.1
      69.0       5.0
      75.0       2.6
      77.0       1.7
      79.0       2.5
      81.0       9.1
      82.0      71.1
      83.0      29.3
      84.0       1.7
     118.0       2.0

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₁ Cl	0.04 ml : 0.5 ml CDCl₃
chlorocyclohexane

    Assign.     Shift(ppm)

      A             4.01
      B          2.29 to 1.12

     Hz     ppm     Int.

    373.19   4.167     42
    371.19   4.145    144
    370.56   4.138    108
    369.25   4.123     84
    367.50   4.104    239
    365.50   4.082    134
    364.81   4.074    145
    363.19   4.056    274
    362.25   4.045    316
    361.00   4.031    190
    358.56   4.004    478
    354.81   3.962    351
    351.56   3.926    134
    349.75   3.906    229
    347.44   3.880     80
    346.75   3.872    116
    346.00   3.864    137
    205.44   2.294     48
    204.44   2.283     45
    204.06   2.279     54
    203.38   2.271     56
    202.00   2.256     76
    200.94   2.244     95
    200.44   2.239     98
    199.88   2.232    107
    199.50   2.228    109
    199.13   2.224    106
    197.69   2.208    130
    196.06   2.190    204
    194.81   2.176    243
    192.63   2.151    365
    191.31   2.137    441
    186.25   2.080    524
    184.25   2.058    469
    182.69   2.040    478
    181.50   2.027    516
    179.38   2.003    787
    176.00   1.966    477
    175.63   1.962    496
    175.31   1.958    496
    174.50   1.949    468
    172.31   1.924    328
    171.94   1.920    333
    171.19   1.912    324
    169.69   1.895    339
    169.06   1.888    367
    167.06   1.866    500
    164.06   1.832    775
    162.81   1.818    722
    160.44   1.792    776
    159.94   1.786    763
    158.88   1.775    714
    155.31   1.735    852
    152.81   1.707    793
    151.50   1.692    720
    150.50   1.681    655
    149.06   1.665    614
    146.75   1.639    740
    145.31   1.623    677
    143.94   1.608    792
    143.31   1.601    821
    142.50   1.592    724
    141.56   1.581    706
    140.75   1.572    752
    139.25   1.555    559
    138.94   1.552    556
    138.13   1.543    593
    137.06   1.531    553
    136.69   1.527    552
    133.88   1.495    721
    132.63   1.481    802
    130.94   1.463    796
    128.31   1.433   1000
    125.69   1.404    777
    124.50   1.391    752
    123.25   1.377    672
    120.56   1.347    915
    118.75   1.326    848
    117.06   1.308    628
    115.63   1.292    524
    113.88   1.272    481
    111.81   1.249    408
    111.50   1.245    415
    109.81   1.227    284
    108.00   1.206    227
    105.06   1.174    142
    104.06   1.162    117
    102.75   1.148     90
    100.94   1.128     72
    100.63   1.124     79
     99.75   1.114     61
     99.13   1.107     54
     98.44   1.100     43
     97.75   1.092     50
     97.19   1.086     57
     96.88   1.082     50
     96.50   1.078     43

¹H NMR	399.65 MHz
C₆ H₁₁ Cl	0.05 ml : 0.5 ml CDCl₃
chlorocyclohexane

    Assign.     Shift(ppm)

      A             4.003
      B             2.062
      C             1.80
      D             1.660
      E             1.54
      F             1.36
      G             1.30
     
     ASSIGNED BY H-H COSY.
     J(A,B)=4.0HZ
     J(A,D)=9.6HZ
     J(C,D)=3.6HZ

     Hz     ppm     Int.

   1613.40   4.038    158
   1609.50   4.028    291
   1604.00   4.014    342
   1600.10   4.004    545
   1596.19   3.994    345
   1590.70   3.981    286
   1586.91   3.971    159
    833.74   2.087    520
    830.44   2.078    563
    825.32   2.066    503
    824.46   2.063    504
    820.43   2.053    608
    819.34   2.051    636
    816.28   2.043    614
    738.16   1.848     34
    733.03   1.835    192
    729.00   1.825    340
    726.56   1.818    422
    724.49   1.813    455
    723.51   1.811    442
    720.21   1.803    583
    714.72   1.789    728
    710.08   1.777    652
    706.42   1.768    324
    704.96   1.764    297
    700.20   1.753     81
    697.02   1.745     81
    693.73   1.736     60
    691.53   1.731     54
    688.11   1.722     49
    685.30   1.715     66
    681.40   1.705    264
    677.61   1.696    298
    671.39   1.680    515
    668.09   1.672    725
    664.79   1.664    435
    661.87   1.657    388
    658.57   1.648    675
    655.03   1.640    563
    648.93   1.624    251
    645.39   1.615    298
    639.28   1.600     43
    639.04   1.599     43
    635.25   1.590     48
    632.57   1.583     40
    629.15   1.575     64
    619.87   1.552    326
    617.31   1.545    386
    611.57   1.531    352
    609.25   1.525    252
    607.67   1.521    261
    606.45   1.518    239
    603.15   1.510    203
    599.98   1.502    137
    596.31   1.493     48
    562.74   1.409    209
    559.45   1.400    234
    552.49   1.383    491
    549.07   1.374    679
    545.53   1.366    405
    542.11   1.357    456
    539.06   1.349    908
    536.01   1.342   1000
    531.74   1.331    633
    530.52   1.328    627
    528.56   1.323    571
    527.22   1.320    626
    525.51   1.315    613
    517.70   1.296    137
    515.26   1.290    220
    512.21   1.282    140
    505.25   1.265     72
    502.08   1.257     51

in CDCl3

CCl4 solution

liquid film

4880 A,200 M,liquid

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