Dimethyl 3,3'-dithiobispropionate(15441-06-2) IR1
Product NameDimethyl 3,3'-dithiobispropionate
CAS15441-06-2
Molecular FormulaC8H14O4S2
Molecular Weight238.32
InChIInChI=1S/C8H14O4S2/c1-11-7(9)3-5-13-14-6-4-8(10)12-2/h3-6H2,1-2H3
InChIKey OSZKBWPMEPEYFU-UHFFFAOYSA-N
SmilesS(CCC(OC)=O)SCCC(OC)=O
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MassMS-IW-7541 dimethyl 3,3'-dithiodipropionate C8H14O4S2 (Mass of molecular ion: 238)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 23.5 18.0 1.6 26.0 2.9 27.0 17.0 28.0 13.0 29.0 3.2 31.0 4.2 32.0 1.5 41.0 6.4 42.0 2.8 43.0 6.5 44.0 1.6 45.0 30.2 46.0 5.5 47.0 4.9 48.0 1.0 55.0 89.6 56.0 4.5 57.0 3.3 58.0 27.7 59.0 87.1 60.0 11.8 61.0 7.2 64.0 8.6 65.0 1.0 66.0 1.0 72.0 1.1 74.0 4.4 76.0 2.2 77.0 11.4 78.0 1.0 79.0 3.0 85.0 3.4 86.0 2.7 87.0 64.4 88.0 22.5 89.0 9.0 90.0 2.4 91.0 4.7 92.0 3.6 93.0 2.0 95.0 2.2 101.0 2.2 109.0 4.8 117.0 2.7 118.0 100.0 119.0 47.0 120.0 32.4 121.0 8.6 122.0 1.8 151.0 6.5 165.0 1.2 173.0 4.4 175.0 16.0 176.0 1.3 177.0 1.5 179.0 2.1 207.0 22.5 208.0 2.2 209.0 2.2 238.0 75.6 239.0 8.0 240.0 7.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H14 O4 S2 0.05 ml : 0.5 ml CDCl3 dimethyl 3,3'-dithiodipropionate 
Assign. Shift(ppm)
A 3.706 B 2.933 C 2.749
Hz ppm Int.1481.20 3.707 1000 1179.57 2.952 132 1178.96 2.950 137 1171.75 2.932 337 1168.58 2.925 23 1164.67 2.915 227 1104.98 2.765 204 1098.02 2.748 304 1090.58 2.729 140
in CDCl3
liquid film
