ETHYL 1,3-DITHIOLANE-2-CARBOXYLATE(20461-99-8) 13C NMR
Product NameETHYL 1,3-DITHIOLANE-2-CARBOXYLATE
CAS20461-99-8
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
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MassMS-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
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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
liquid film
