142-61-0

己酰氯(142-61-0)核磁圖(¹³CNMR)

產(chǎn)品名稱:己酰氯

CAS:142-61-0

分子式:C6H11ClO

分子量: 134.6

InChI:InChI=1S/C6H11ClO/c1-2-3-4-5-6(7)8/h2-5H2,1H3

InChIKey: YWGHUJQYGPDNKT-UHFFFAOYSA-N

Smiles:C(Cl)(=O)CCCCC

Mass

MS-NW-3272          
hexanoyl chloride
C6H11ClO            (Mass of molecular ion:    134)

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

      14.0       1.1
      15.0       3.8
      18.0       1.2
      26.0       7.1
      27.0      58.8
      28.0       9.1
      29.0      44.2
      30.0       1.2
      35.0       1.2
      36.0       7.6
      37.0       2.1
      38.0       4.6
      39.0      35.7
      40.0       6.6
      41.0      84.2
      42.0      43.2
      43.0      96.6
      44.0       3.5
      45.0       1.3
      49.0       1.3
      50.0       2.4
      51.0       3.2
      52.0       1.0
      53.0       4.8
      54.0       3.1
      55.0     100.0
      56.0      27.0
      57.0      45.1
      58.0       2.4
      60.0      12.7
      61.0       1.5
      63.0       4.7
      65.0       1.7
      67.0       1.0
      69.0      10.5
      70.0      23.4
      71.0      40.2
      72.0       2.4
      73.0       5.7
      74.0       1.0
      77.0       3.5
      78.0      34.1
      79.0       5.3
      80.0      10.7
      81.0       2.3
      83.0       4.1
      87.0       1.7
      91.0      12.1
      92.0       1.1
      93.0       4.1
      97.0       1.3
      98.0      23.5
      99.0      83.7
     100.0       5.4
     105.0       6.2
     106.0       5.8
     107.0       2.0
     108.0       1.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₁ Cl O	0.04 ml : 0.5 ml CDCl₃
hexanoyl chloride

    Assign.     Shift(ppm)

      A             2.872
      B             1.72
      C          1.59 to 1.06
      D             0.92

     Hz     ppm     Int.

    265.38   2.964    374
    258.19   2.883    979
    250.75   2.800    625
    168.38   1.881     47
    165.00   1.843     46
    163.13   1.822     73
    161.50   1.804    150
    160.63   1.794    132
    158.31   1.768    111
    157.13   1.755     99
    154.88   1.730    194
    153.75   1.717    237
    152.94   1.708    200
    151.38   1.691    141
    151.25   1.689    141
    148.00   1.653    171
    146.88   1.641    192
    144.00   1.608     94
    143.25   1.600     78
    142.50   1.592     68
    141.69   1.583     67
    140.50   1.569    117
    139.50   1.558     63
    138.19   1.543     68
    137.06   1.531     54
    136.25   1.522     49
    135.44   1.513     55
    133.63   1.493     69
    131.75   1.472     69
    129.25   1.444    144
    128.56   1.436    135
    126.13   1.409    335
    125.13   1.398    501
    123.56   1.380    314
    122.19   1.365    538
    121.00   1.352    386
    119.63   1.336    416
    118.00   1.318    550
    116.38   1.300    366
    115.31   1.288    272
    114.00   1.273    330
    112.13   1.253    168
    111.13   1.241    277
    107.88   1.205     74
    106.06   1.185     55
    105.44   1.178     56
    104.31   1.165     48
    103.50   1.156     54
    102.19   1.142     41
    100.81   1.126     40
    100.00   1.117     48
     93.44   1.044     41
     91.88   1.026     45
     91.06   1.017     48
     88.81   0.992    189
     87.81   0.981    338
     87.06   0.973    317
     84.81   0.947    227
     84.31   0.942    225
     81.44   0.910   1000
     78.56   0.878    204
     75.44   0.843    247
     74.00   0.827    173
     72.69   0.812     87
     72.56   0.811     87
     71.50   0.799     84
     69.38   0.775     41

in CDCl3