1,3-BIS(METHYLTHIO)-2-METHOXYPROPANE(31805-84-2) IR1
Product Name1,3-BIS(METHYLTHIO)-2-METHOXYPROPANE
CAS31805-84-2
Molecular FormulaC6H14OS2
Molecular Weight166.3
InChIInChI=1S/C6H14OS2/c1-7-6(4-8-2)5-9-3/h6H,4-5H2,1-3H3
InChIKey MOISORXUYSHXRU-UHFFFAOYSA-N
SmilesC(SC)C(OC)CSC
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MassMS-IW-7594 2-methoxy-1,3-bis(methylthio)propane C6H14OS2 (Mass of molecular ion: 166)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.1 27.0 3.8 28.0 1.7 29.0 1.4 31.0 1.2 35.0 3.4 39.0 3.0 41.0 6.6 42.0 1.2 43.0 4.4 45.0 11.0 46.0 2.9 47.0 5.8 48.0 1.6 53.0 1.0 57.0 1.4 58.0 5.2 59.0 2.5 60.0 1.0 61.0 42.4 62.0 10.5 63.0 4.1 71.0 3.2 72.0 2.4 73.0 5.3 75.0 11.2 87.0 25.3 88.0 2.3 89.0 5.2 90.0 10.6 91.0 1.0 103.0 1.5 104.0 1.5 105.0 100.0 106.0 5.5 107.0 5.0 118.0 1.0 134.0 39.3 135.0 3.2 136.0 3.7 151.0 2.2 166.0 15.0 167.0 1.2 168.0 1.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H14 O S2 0.05 ml : 0.5 ml CDCl3 2-methoxy-1,3-bis(methylthio)propane 
Assign. Shift(ppm)
A 3.512 B 3.429 C *1 2.766 D *1 2.731 E 2.163
Hz ppm Int.1409.55 3.527 64 1403.93 3.513 99 1398.19 3.499 69 1392.58 3.485 21 1370.61 3.430 713 1119.26 2.801 53 1113.53 2.787 51 1105.59 2.767 197 1099.85 2.753 200 1097.29 2.746 212 1091.67 2.732 205 1083.74 2.712 57 1078.13 2.698 52 864.75 2.164 1000
in CDCl3
liquid film
