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Back ChemicalBook Home>CAS DataBase List>20461-99-8More Spectrum> ETHYL 1,3-DITHIOLANE-2-CARBOXYLATE(20461-99-8) 13C NMR

ETHYL 1,3-DITHIOLANE-2-CARBOXYLATE(20461-99-8) 13C NMR

Molecular FormulaC6H10O2S2

Molecular Weight178.27

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

InChIKey OMCSHTHLIQOHDD-UHFFFAOYSA-N

SmilesS1CCSC1C(OCC)=O


  • 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
    ChemicalStructure
        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



liquid film



ETHYL 1,3-DITHIOLANE-2-CARBOXYLATE(20461-99-8) 13C NMR Atlas of Related Products

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