Dimethyl Thiodiglycolate(16002-29-2) IR1
Product NameDimethyl Thiodiglycolate
CAS16002-29-2
Molecular FormulaC6H10O4S
Molecular Weight178.21
InChIInChI=1S/C6H10O4S/c1-9-5(7)3-11-4-6(8)10-2/h3-4H2,1-2H3
InChIKey ZQUQLLPRRJVUES-UHFFFAOYSA-N
SmilesS(CC(OC)=O)CC(OC)=O
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MassMS-NW-5810 dimethyl thiodiacetate C6H10O4S (Mass of molecular ion: 178)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 2.9 15.0 22.5 27.0 2.5 28.0 4.1 29.0 5.5 30.0 1.2 31.0 3.0 42.0 13.3 43.0 22.5 44.0 1.7 45.0 100.0 46.0 13.8 47.0 3.6 48.0 1.0 58.0 1.9 59.0 20.5 60.0 4.1 61.0 20.1 63.0 1.0 74.0 32.7 75.0 2.2 77.0 3.5 87.0 7.6 91.0 20.7 93.0 1.0 101.0 4.7 104.0 3.7 105.0 4.6 114.0 2.0 118.0 23.5 119.0 44.2 120.0 3.9 121.0 2.4 146.0 65.0 147.0 6.5 148.0 3.6 178.0 15.8 179.0 1.5 180.0 1.2
parameter in CDCl3
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1H NMR 300 MHz C6 H10 O4 S 0.04 ml : 0.5 ml CDCl3 dimethyl thiodiacetate 
Parameter ppm Hz
D(A) 3.748 D(B) 3.401
Hz ppm Int.1124.40 3.748 1000 1020.30 3.401 667
in CDCl3
liquid film
