31805-84-2

1,3-二(甲硫基)-2-甲基丙烷(31805-84-2)质谱(MS)

产品名称:1,3-二(甲硫基)-2-甲基丙烷

CAS:31805-84-2

分子式:C6H14OS2

分子量: 166.3

InChI:InChI=1S/C6H14OS2/c1-7-6(4-8-2)5-9-3/h6H,4-5H2,1-3H3

InChIKey: MOISORXUYSHXRU-UHFFFAOYSA-N

Smiles:C(SC)C(OC)CSC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-7594          
2-methoxy-1,3-bis(methylthio)propane
C6H14OS2            (Mass of molecular ion:    166)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.1
      27.0       3.8
      28.0       1.7
      29.0       1.4
      31.0       1.2
      35.0       3.4
      39.0       3.0
      41.0       6.6
      42.0       1.2
      43.0       4.4
      45.0      11.0
      46.0       2.9
      47.0       5.8
      48.0       1.6
      53.0       1.0
      57.0       1.4
      58.0       5.2
      59.0       2.5
      60.0       1.0
      61.0      42.4
      62.0      10.5
      63.0       4.1
      71.0       3.2
      72.0       2.4
      73.0       5.3
      75.0      11.2
      87.0      25.3
      88.0       2.3
      89.0       5.2
      90.0      10.6
      91.0       1.0
     103.0       1.5
     104.0       1.5
     105.0     100.0
     106.0       5.5
     107.0       5.0
     118.0       1.0
     134.0      39.3
     135.0       3.2
     136.0       3.7
     151.0       2.2
     166.0      15.0
     167.0       1.2
     168.0       1.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₄ O S₂	0.05 ml : 0.5 ml CDCl₃
2-methoxy-1,3-bis(methylthio)propane

    Assign.     Shift(ppm)

      A             3.512
      B             3.429
      C     *1      2.766
      D     *1      2.731
      E             2.163

     Hz     ppm     Int.

   1409.55   3.527     64
   1403.93   3.513     99
   1398.19   3.499     69
   1392.58   3.485     21
   1370.61   3.430    713
   1119.26   2.801     53
   1113.53   2.787     51
   1105.59   2.767    197
   1099.85   2.753    200
   1097.29   2.746    212
   1091.67   2.732    205
   1083.74   2.712     57
   1078.13   2.698     52
    864.75   2.164   1000

in CDCl3