505-23-7

1,3-二噻烷(505-23-7)质谱(MS)

产品名称:1,3-二噻烷

CAS:505-23-7

分子式:C4H8S2

分子量: 120.24

InChI:InChI=1S/C4H8S2/c1-2-5-4-6-3-1/h1-4H2

InChIKey: WQADWIOXOXRPLN-UHFFFAOYSA-N

Smiles:S1CCCSC1

Mass

MS-NW-7263          
1,3-dithiane
C4H8S2              (Mass of molecular ion:    120)

   Source Temperature: 220 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      26.0       1.4
      27.0       6.8
      29.0       1.6
      32.0       1.0
      38.0       1.7
      39.0      13.3
      40.0       1.7
      41.0      38.3
      42.0       2.5
      44.0       3.1
      45.0      56.0
      46.0      64.6
      47.0      15.4
      48.0       3.5
      53.0       1.8
      55.0      10.4
      58.0       3.6
      59.0       7.7
      60.0       8.1
      61.0      12.6
      64.0       7.0
      69.0       1.3
      71.0       3.3
      72.0       4.6
      73.0      35.1
      74.0      41.4
      75.0       5.4
      76.0       2.2
      77.0       2.2
      78.0      13.1
      79.0       2.9
      80.0       1.5
      85.0       3.7
      86.0       3.8
      87.0      17.8
      88.0       1.1
      91.0       1.3
      92.0       5.2
     105.0       6.3
     119.0       4.6
     120.0     100.0
     121.0       6.5
     122.0       9.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₈ S₂	0.039 g : 0.5 ml CDCl₃
1,3-dithiane

    Assign.     Shift(ppm)

      A             3.786
      B             2.830
      C             2.077

     Hz     ppm     Int.

   1513.31   3.787   1000
   1136.60   2.844    754
   1134.16   2.838    382
   1131.23   2.831    766
   1128.30   2.824    397
   1125.37   2.816    794
    841.06   2.105    160
    838.50   2.099    126
    835.45   2.091    228
    833.98   2.087    171
    832.89   2.085    174
    829.96   2.077    455
    826.78   2.069    167
    826.17   2.068    163
    824.34   2.063    205
    821.53   2.056    121
    818.73   2.049    142

in CDCl3