638-29-9

正戊酰氯(638-29-9)核磁图(¹³CNMR)

产品名称:正戊酰氯

CAS:638-29-9

分子式:C5H9ClO

分子量: 120.58

InChI:InChI=1S/C5H9ClO/c1-2-3-4-5(6)7/h2-4H2,1H3

InChIKey: XGISHOFUAFNYQF-UHFFFAOYSA-N

Smiles:C(Cl)(=O)CCCC

Mass

MS-NW-5338          
valeryl chloride
C5H9ClO             (Mass of molecular ion:    120)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      14.0       1.5
      15.0       4.0
      26.0      10.9
      27.0      61.0
      28.0      28.5
      29.0      80.1
      30.0       2.1
      31.0       1.0
      35.0       1.7
      36.0       7.8
      37.0       2.4
      38.0       4.6
      39.0      30.5
      40.0       4.3
      41.0      80.2
      42.0      29.6
      43.0      25.1
      45.0       3.2
      49.0       1.9
      50.0       3.4
      51.0       3.1
      52.0       1.0
      53.0       3.5
      54.0       1.4
      55.0      43.9
      56.0      18.0
      57.0      93.8
      58.0       4.5
      60.0      34.1
      61.0       1.9
      63.0       5.8
      65.0       2.0
      73.0      14.0
      74.0       1.8
      77.0       1.1
      78.0      34.0
      79.0       2.9
      80.0      11.3
      81.0       1.0
      83.0       1.2
      84.0      12.2
      85.0     100.0
      86.0       6.0
      87.0       1.4
      91.0      10.5
      92.0       4.4
      93.0       3.7
      94.0       1.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₉ Cl O	0.04 ml : 0.5 ml CDCl₃
valeryl chloride

    Assign.     Shift(ppm)

      A             2.879
      B             1.67
      C             1.40
      D             0.93

     Hz     ppm     Int.

    265.94   2.970    309
    258.75   2.890    717
    255.13   2.849     62
    254.81   2.846     60
    254.50   2.842     62
    251.63   2.810    515
    168.13   1.878     48
    166.94   1.865     52
    160.69   1.795    162
    158.81   1.774     88
    158.13   1.766    112
    156.38   1.747     72
    153.81   1.718    256
    152.50   1.703    215
    151.63   1.694    161
    150.88   1.685    173
    149.00   1.664     87
    146.19   1.633    234
    145.44   1.624    239
    143.69   1.605    115
    142.81   1.595     97
    141.75   1.583    135
    140.00   1.564    137
    139.25   1.555    168
    138.31   1.545    117
    136.38   1.523    133
    135.19   1.510    160
    134.56   1.503    200
    132.81   1.483     72
    132.19   1.476     77
    130.19   1.454    181
    129.31   1.444    192
    128.44   1.435    193
    127.00   1.419    242
    125.38   1.400    108
    124.75   1.393    102
    124.38   1.389    102
    122.88   1.373    205
    120.38   1.345    255
    118.19   1.320    108
    116.63   1.303    102
    113.81   1.271    221
    112.56   1.257    127
    107.25   1.198     98
     91.25   1.019    324
     90.19   1.008    551
     89.63   1.001    487
     87.00   0.972     99
     86.06   0.961    107
     83.75   0.936   1000
     77.50   0.866    210
     76.31   0.853    273
     74.50   0.832    167
     71.50   0.799     45
     70.94   0.793     41
     69.81   0.780     36

in CDCl3