7795-95-1

1-辛烷磺酰氯(7795-95-1)核磁图(¹HNMR)

产品名称:1-辛烷磺酰氯

CAS:7795-95-1

分子式:C8H17ClO2S

分子量: 212.74

InChI:InChI=1S/C8H17ClO2S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3

InChIKey: WIVNTNLDTMNDNO-UHFFFAOYSA-N

Smiles:C(S(Cl)(=O)=O)CCCCCCC

Mass

MS-NW-2940          
1-octanesulfonyl chloride
C8H17ClO2S          (Mass of molecular ion:    212)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.3
      18.0       1.4
      26.0       1.5
      27.0      23.7
      28.0       5.7
      29.0      37.6
      36.0       4.3
      38.0       1.4
      39.0      16.6
      40.0       3.3
      41.0      76.5
      42.0      38.1
      43.0      82.6
      44.0       3.0
      48.0       5.3
      50.0       1.6
      51.0       2.6
      52.0       1.9
      53.0       4.2
      54.0       5.1
      55.0      80.9
      56.0      66.8
      57.0      56.8
      58.0       2.7
      63.0       2.2
      64.0      11.0
      67.0       6.9
      68.0      20.3
      69.0     100.0
      70.0      46.8
      71.0      29.2
      72.0       1.7
      77.0       3.9
      78.0       8.9
      79.0       1.2
      81.0       3.1
      82.0       7.8
      83.0      35.9
      84.0      34.5
      85.0       4.4
      91.0       3.3
      93.0       1.0
      95.0       1.0
      97.0       6.1
     105.0       1.1
     109.0       5.2
     110.0       1.9
     111.0      10.8
     112.0       8.2
     113.0       1.2
     114.0       1.2
     159.0       4.8
     177.0       2.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₇ Cl O₂ S	0.05 ml : 0.5 ml CDCl₃
1-octanesulfonyl chloride

    Assign.     Shift(ppm)

      A             3.65
      B             2.05
      C          1.59 to 1.23
      D             0.90

     Hz     ppm     Int.

    335.38   3.745    434
    332.06   3.708     36
    329.75   3.682    203
    327.88   3.662    389
    325.25   3.632    186
    319.94   3.573    595
    197.88   2.210     36
    197.56   2.206     35
    197.19   2.202     37
    195.94   2.188     34
    195.56   2.184     34
    195.25   2.181     32
    194.88   2.176     34
    194.31   2.170     36
    190.44   2.127    115
    190.06   2.123    117
    189.00   2.111    106
    187.63   2.096    103
    186.81   2.086    109
    185.06   2.067    132
    182.81   2.042    176
    180.69   2.018    128
    179.31   2.003    132
    175.13   1.956    148
    173.13   1.934    114
    170.56   1.905     50
    169.81   1.897     49
    167.56   1.871     78
    149.63   1.671     31
    149.06   1.665     33
    148.00   1.653     36
    147.25   1.645     39
    146.69   1.638     40
    145.81   1.629     44
    145.44   1.624     45
    144.69   1.616     46
    140.00   1.564    114
    139.19   1.555    116
    138.69   1.549    116
    138.19   1.543    127
    135.75   1.516    131
    135.31   1.511    134
    134.69   1.504    138
    133.00   1.486    171
    131.56   1.469    206
    117.69   1.315    989
    115.19   1.287   1000
    101.81   1.137     50
    101.13   1.130     47
    100.81   1.126     46
     99.44   1.111     43
     99.13   1.107     42
     98.81   1.104     41
     97.44   1.088     33
     97.06   1.084     32
     96.63   1.079     31
     95.94   1.072     31
     95.50   1.067     31
     93.75   1.047     32
     93.25   1.042     33
     92.06   1.028     42
     91.50   1.022     43
     91.25   1.019     43
     90.81   1.014     44
     84.75   0.947    246
     79.63   0.890    776
     73.50   0.821    168
     69.75   0.779     61

in CDCl3