20461-99-8

1,3-二硫烷-2-甲酸乙酯(20461-99-8)核磁图(¹³CNMR)

产品名称:1,3-二硫烷-2-甲酸乙酯

CAS:20461-99-8

分子式:C6H10O2S2

分子量: 178.27

InChI:InChI=1S/C6H10O2S2/c1-2-8-5(7)6-9-3-4-10-6/h6H,2-4H2,1H3

InChIKey: OMCSHTHLIQOHDD-UHFFFAOYSA-N

Smiles:S1CCSC1C(OCC)=O

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-1285          
ethyl 1,3-dithiolane-2-carboxylate
C6H10O2S2           (Mass of molecular ion:    178)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       4.0
      28.0       1.9
      29.0       7.4
      44.0       1.2
      45.0      11.7
      46.0       1.1
      58.0       1.4
      59.0       4.1
      60.0       1.6
      61.0      10.8
      76.0       1.2
      77.0       2.9
     105.0     100.0
     106.0       5.3
     107.0       9.1
     178.0      20.6
     179.0       1.7
     180.0       2.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₀ O₂ S₂	0.05 ml : 0.5 ml CDCl₃
ethyl 1,3-dithiolane-2-carboxylate

    Assign.     Shift(ppm)

      A             4.845
      B             4.183
      C     *1      3.454
      D     *1      3.331
      E             1.285

     Hz     ppm     Int.

   1936.52   4.846    605
   1682.62   4.211    226
   1675.42   4.193    596
   1668.33   4.175    603
   1661.13   4.157    237
   1396.24   3.494     34
   1391.24   3.482    142
   1385.86   3.468    150
   1384.64   3.465    206
   1383.42   3.462    208
   1380.62   3.455    207
   1378.78   3.450    233
   1376.34   3.444    198
   1373.78   3.438    265
   1365.97   3.418    109
   1345.83   3.368    121
   1338.13   3.349    304
   1335.45   3.342    221
   1333.01   3.336    265
   1331.18   3.331    240
   1328.37   3.324    227
   1327.15   3.321    233
   1325.93   3.318    179
   1320.43   3.304    166
   1315.55   3.292     41
    520.63   1.303    620
    513.55   1.285   1000
    506.35   1.267    603

in CDCl3