2690-08-6

1,1’-硫代二辛烷(2690-08-6)核磁图(¹HNMR)

产品名称:1,1’-硫代二辛烷

CAS:2690-08-6

分子式:C16H34S

分子量: 258.51

InChI:InChI=1S/C16H34S/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

InChIKey: LOXRGHGHQYWXJK-UHFFFAOYSA-N

Smiles:S(CCCCCCCC)CCCCCCCC

Mass

MS-NW-2737          
dioctyl sulfide
C16H34S             (Mass of molecular ion:    258)

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

      27.0       6.2
      28.0       5.1
      29.0      14.9
      32.0       1.3
      39.0       3.7
      41.0      28.1
      42.0       7.6
      43.0      34.4
      44.0       1.1
      45.0       1.7
      46.0       1.1
      47.0       3.3
      53.0       1.5
      54.0       2.0
      55.0      31.8
      56.0      21.8
      57.0      26.0
      58.0       1.3
      60.0       4.5
      61.0      19.6
      62.0       1.0
      63.0       1.0
      67.0       3.3
      68.0       7.4
      69.0      49.5
      70.0      25.9
      71.0      14.9
      75.0       1.8
      81.0       1.5
      82.0       7.2
      83.0      20.7
      84.0      19.3
      85.0       1.8
      87.0       5.6
      88.0       1.0
      89.0       4.4
      97.0       2.5
     101.0       2.6
     103.0       1.3
     111.0       2.5
     112.0      28.6
     113.0       2.7
     144.0       3.8
     145.0     100.0
     146.0      14.1
     147.0       7.1
     159.0      11.0
     160.0       1.5
     173.0       2.8
     201.0       3.4
     229.0       1.1
     257.0       2.4
     258.0      21.1
     259.0       4.1
     260.0       1.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₆ H₃₄ S	0.04 ml : 0.5 ml CDCl₃
dioctyl sulfide

    Assign.     Shift(ppm)

      A             2.49
      B             1.57
      C          1.50 to 1.07
      D             0.89

     Hz     ppm     Int.

    231.19   2.582     91
    230.50   2.574     92
    223.88   2.500    223
    216.56   2.419    193
    148.25   1.656     54
    147.81   1.651     55
    146.81   1.640     52
    146.50   1.636     52
    146.00   1.631     50
    141.19   1.577    122
    140.06   1.564     92
    137.13   1.532     78
    136.31   1.522     79
    134.50   1.502     98
    132.94   1.485     91
    131.50   1.469     95
    131.06   1.464     97
    128.81   1.439    105
    114.31   1.277   1000
    103.56   1.157     39
    103.00   1.151     38
    101.94   1.139     34
     84.19   0.941    138
     81.25   0.908    114
     78.88   0.881    464
     74.44   0.832     64
     72.88   0.814     90

in CDCl3