N-丁基甲基硫醚(628-29-5)核磁圖(¹³CNMR)

產(chǎn)品名稱:N-丁基甲基硫醚

CAS:628-29-5

分子式:C5H12S

分子量: 104.21

InChI:InChI=1S/C5H12S/c1-3-4-5-6-2/h3-5H2,1-2H3

InChIKey: WCXXISMIJBRDQK-UHFFFAOYSA-N

Smiles:C(SC)CCC

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-3927          
butyl methyl sulfide
C5H12S              (Mass of molecular ion:    104)

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

      15.0       1.8
      26.0       1.9
      27.0      19.1
      28.0       6.1
      29.0      24.5
      35.0       6.4
      39.0       9.6
      40.0       1.8
      41.0      47.7
      42.0       2.3
      43.0       2.6
      45.0      10.9
      46.0       7.3
      47.0      18.5
      48.0      21.6
      49.0      13.2
      50.0       1.7
      51.0       1.3
      53.0       1.8
      55.0      12.0
      56.0      77.8
      57.0      17.9
      58.0       1.9
      59.0       3.5
      60.0       1.4
      61.0     100.0
      62.0      12.6
      63.0       4.9
      75.0      19.3
      76.0       1.3
      89.0       5.7
      90.0       1.1
     103.0       1.1
     104.0      61.5
     105.0       3.9
     106.0       3.0
     146.0       1.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₁₂ S	0.04 ml : 0.5 ml CDCl₃
butyl methyl sulfide

    Assign.     Shift(ppm)

      A             2.49
      B             2.092
      C             1.56
      D             1.42
      E             0.92

     Hz     ppm     Int.

    230.50   2.574     89
    223.50   2.496    211
    216.69   2.420    177
    187.38   2.093   1000
    151.50   1.692     31
    149.50   1.670     78
    147.25   1.645     79
    143.75   1.606     96
    143.31   1.601    100
    142.19   1.588    130
    141.38   1.579    116
    139.75   1.561    189
    136.06   1.520    215
    135.38   1.512    187
    134.94   1.507    200
    132.25   1.477    244
    131.31   1.467    109
    129.94   1.451    174
    127.94   1.429    134
    126.94   1.418     74
    125.06   1.397     80
    124.69   1.393     81
    124.25   1.388     79
    123.94   1.384     79
    123.31   1.377     85
    122.69   1.370     81
    122.06   1.363     87
    121.25   1.354     88
    119.88   1.339     46
    119.13   1.331     44
    118.31   1.322     49
    115.31   1.288     69
    114.88   1.283     67
    113.88   1.272     39
    113.44   1.267     35
    109.25   1.220     36
     89.13   0.996    284
     88.44   0.988    251
     85.94   0.960     81
     82.56   0.922    663
     80.25   0.897    193
     77.75   0.869     74
     76.38   0.853    110
     75.13   0.839    130
     73.38   0.820     73

in CDCl3