Dimethyl 3,3'-thiodipropanoate(4131-74-2) IR1
Product NameDimethyl 3,3'-thiodipropanoate
CAS4131-74-2
Molecular FormulaC8H14O4S
Molecular Weight206.26
InChIInChI=1S/C8H14O4S/c1-11-7(9)3-5-13-6-4-8(10)12-2/h3-6H2,1-2H3
InChIKey MYWWWNVEZBAKHR-UHFFFAOYSA-N
SmilesS(CCC(OC)=O)CCC(OC)=O
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MassMS-NW-1019 dimethyl 3,3'-thiodipropionate C8H14O4S (Mass of molecular ion: 206)
Source Temperature: 260 °C Sample Temperature: 130 °C Reservoir, 75 eV
15.0 46.6 17.0 1.2 18.0 5.9 26.0 4.1 27.0 24.7 28.0 23.2 29.0 5.6 30.0 1.2 31.0 5.4 32.0 3.8 35.0 1.9 39.0 2.2 41.0 8.1 42.0 3.9 43.0 10.9 44.0 1.9 45.0 93.6 46.0 10.9 47.0 7.2 49.0 2.2 53.0 1.0 54.0 1.1 55.0 71.1 56.0 8.4 57.0 25.9 58.0 14.9 59.0 70.6 60.0 23.9 61.0 8.4 62.0 1.2 72.0 1.3 73.0 11.6 74.0 3.4 75.0 2.0 77.0 22.0 79.0 1.0 85.0 3.0 86.0 15.2 87.0 52.3 88.0 41.6 89.0 4.2 90.0 1.3 91.0 2.4 92.0 1.1 101.0 3.5 103.0 1.9 114.0 40.1 115.0 5.2 116.0 3.3 117.0 1.1 118.0 10.8 119.0 57.9 120.0 10.4 121.0 3.2 133.0 24.0 134.0 1.5 135.0 1.2 142.0 16.8 143.0 50.7 144.0 4.6 145.0 2.6 146.0 100.0 147.0 11.5 148.0 5.6 174.0 1.1 175.0 12.5 176.0 1.0 188.0 1.5 202.0 1.8 206.0 72.2 207.0 7.0 208.0 4.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H14 O4 S 0.04 ml : 0.5 ml CDCl3 dimethyl 3,3'-thiodipropionate 
Assign. Shift(ppm)
A 3.702 B 2.831 C 2.603
Hz ppm Int.331.56 3.703 1000 261.69 2.922 30 258.31 2.885 48 256.63 2.866 36 251.69 2.811 152 246.94 2.758 143 245.81 2.745 174 240.75 2.689 136 239.69 2.677 120 234.94 2.624 133 230.00 2.569 29 228.31 2.550 32
in CDCl3
CCl4 solution
liquid film
