107-61-9

1,4-噻烷-1,1-二氧(107-61-9)質(zhì)譜(MS)

產(chǎn)品名稱:1,4-噻烷-1,1-二氧

CAS:107-61-9

分子式:C4H8O3S

分子量: 136.17

InChI:InChI=1S/C4H8O3S/c5-8(6)3-1-7-2-4-8/h1-4H2

InChIKey: WWRUZECKUVNAPB-UHFFFAOYSA-N

Smiles:O1CCS(=O)(=O)CC1

Mass

MS-IW-4057          
1,4-oxathiane 4,4-dioxide
C4H8O3S             (Mass of molecular ion:    136)

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

      14.0       1.7
      15.0      10.8
      16.0       1.0
      17.0       1.0
      18.0       5.5
      19.0       1.9
      26.0       4.7
      27.0      21.0
      28.0      48.0
      29.0      37.3
      30.0       2.0
      31.0       4.9
      32.0       2.3
      39.0       1.4
      40.0       2.5
      41.0      17.0
      42.0      15.2
      43.0      77.4
      44.0     100.0
      45.0      47.4
      46.0       2.7
      47.0       2.1
      48.0       7.9
      49.0       1.2
      50.0       1.7
      57.0       3.4
      58.0       4.3
      59.0       1.4
      62.0       1.8
      63.0       2.9
      64.0       1.9
      65.0      12.9
      66.0       1.3
      71.0      31.4
      72.0      22.2
      73.0       1.2
      76.0       1.0
      78.0      12.9
      79.0       1.7
      93.0       2.3
     106.0       5.3
     107.0       5.3
     108.0       5.5
     109.0      14.6
     137.0       4.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₈ O₃ S	0.036 g : 0.5 ml CDCl₃
1,4-oxathiane 4,4-dioxide

    Assign.     Shift(ppm)

      A             4.143
      B             3.128

     Hz     ppm     Int.

   1661.38   4.158    896
   1656.62   4.146    738
   1655.64   4.143    717
   1654.91   4.141    719
   1650.76   4.131    930
   1640.87   4.106     24
   1640.14   4.104     23
   1255.49   3.142    891
   1254.27   3.139    655
   1250.12   3.129   1000
   1246.09   3.118    640
   1244.87   3.115    844
   1234.62   3.090     22

in CDCl3