7460-82-4

二乙二醇双对甲苯磺酸酯(7460-82-4)核磁图(¹³CNMR)

分子式:C18H22O7S2

分子量: 414.49

InChI:InChI=1S/C18H22O7S2/c1-15-3-7-17(8-4-15)26(19,20)24-13-11-23-12-14-25-27(21,22)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3

InChIKey: VYVPNTJBGPQTFA-UHFFFAOYSA-N

Smiles:O(CCOS(C1=CC=C(C)C=C1)(=O)=O)CCOS(C1=CC=C(C)C=C1)(=O)=O

Mass

MS-IW-8374          
oxydiethylene ditosylate
C18H22O7S2          (Mass of molecular ion:    414)

   Source Temperature: 180 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      27.0       2.1
      28.0       2.4
      29.0       1.9
      31.0       1.2
      39.0       4.2
      41.0       2.3
      42.0       2.8
      43.0       4.0
      44.0       3.8
      45.0       3.3
      48.0       1.1
      51.0       2.0
      57.0       1.3
      63.0       2.9
      64.0       3.5
      65.0      15.8
      66.0       1.0
      70.0      14.1
      71.0       1.0
      73.0       8.8
      77.0       3.3
      78.0       1.2
      79.0       2.5
      87.0       2.0
      89.0       7.6
      90.0       6.9
      91.0     100.0
      92.0      11.4
     105.0       9.3
     106.0       1.6
     107.0       6.4
     108.0       4.0
     124.0       2.6
     134.0       1.4
     139.0       3.9
     140.0       1.2
     154.0       1.4
     155.0      94.3
     156.0       8.4
     157.0       4.9
     172.0       5.1
     198.0      17.0
     199.0      81.8
     200.0       9.7
     201.0       4.6
     216.0       1.6
     229.0      10.7
     230.0       1.3
     242.0       5.2
     243.0       5.2
     244.0       1.2
     414.0      10.9
     415.0       2.4
     416.0       1.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₈ H₂₂ O₇ S₂	0.043 g : 0.5 ml CDCl₃
oxydiethylene ditosylate

    Assign.     Shift(ppm)

      A             7.777
      B             7.349
      C             4.088
      D             3.602
      E             2.445

     Hz     ppm     Int.

   3114.62   7.794     53
   3112.55   7.789    332
   3110.96   7.785    118
   3106.08   7.773    123
   3104.25   7.768    380
   3102.42   7.763     61
   2941.77   7.361    242
   2941.16   7.360    283
   2933.23   7.340    263
   2932.62   7.338    229
   1638.67   4.101    278
   1635.25   4.092    170
   1634.03   4.089    292
   1632.69   4.086    169
   1629.39   4.078    308
   1444.46   3.615    301
   1441.16   3.607    160
   1439.70   3.603    291
   1438.60   3.600    171
   1435.06   3.591    278
    977.42   2.446   1000

in CDCl3