2,3-DIHYDRO-1,4-DITHIINO[2,3-C]FURAN-5,7-DIONE(10489-75-5) IR1
Product Name2,3-DIHYDRO-1,4-DITHIINO[2,3-C]FURAN-5,7-DIONE
CAS10489-75-5
Molecular FormulaC6H4O3S2
Molecular Weight188.22
InChIInChI=1S/C6H4O3S2/c7-5-3-4(6(8)9-5)11-2-1-10-3/h1-2H2
InChIKey MXSSHXZXAAXCOW-UHFFFAOYSA-N
SmilesO1C(=O)C2SCCSC=2C1=O
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MassMS-KW-0423 5,6-dihydro-1,4-dithiin-2,3-dicarboxylic anhydride C6H4O3S2 (Mass of molecular ion: 188)
Source Temperature: 170 °C Sample Temperature: 130 °C Direct, 75 eV
26.0 1.1 27.0 2.6 28.0 2.0 44.0 7.1 45.0 7.3 46.0 1.2 55.0 3.8 56.0 4.0 57.0 1.6 58.0 3.0 59.0 5.3 60.0 22.4 62.0 1.0 71.0 3.4 72.0 2.0 84.0 3.8 88.0 43.0 89.0 1.8 90.0 4.0 116.0 30.4 117.0 1.6 118.0 2.8 144.0 9.7 188.0 100.0 189.0 8.3 190.0 9.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C6H4O3S2 0.038 g : 0.5 ml CDCl3 5,6-dihydro-1,4-dithiin-2,3-dicarboxylic anhydride 
Assign. Shift(ppm)
A 3.394
Hz ppm Int.1356.69 3.394 1000
in CDCl3
KBr disk
Nujol
