Methyl 3-methylthiopropionate(13532-18-8) MS
Product NameMethyl 3-methylthiopropionate
CAS13532-18-8
Molecular FormulaC5H10O2S
Molecular Weight134.2
InChIInChI=1S/C5H10O2S/c1-7-5(6)3-4-8-2/h3-4H2,1-2H3
InChIKey DMMJVMYCBULSIS-UHFFFAOYSA-N
SmilesC(OC)(=O)CCSC
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MassMS-NW-6659 methyl 3-(methylthio)propionate C5H10O2S (Mass of molecular ion: 134)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 20.9 18.0 1.2 26.0 3.1 27.0 17.4 28.0 6.5 29.0 3.5 31.0 2.2 35.0 7.7 39.0 1.5 41.0 17.5 42.0 2.0 43.0 3.1 44.0 2.0 45.0 17.1 46.0 12.1 47.0 22.1 48.0 5.5 49.0 6.6 55.0 18.9 56.0 3.1 57.0 8.6 58.0 4.3 59.0 29.7 60.0 5.8 61.0 100.0 62.0 3.7 63.0 5.2 71.0 1.0 73.0 1.3 74.0 91.2 75.0 36.5 76.0 5.8 77.0 8.2 87.0 15.6 88.0 7.1 89.0 1.0 102.0 5.8 103.0 18.1 104.0 1.4 105.0 1.0 119.0 5.6 134.0 77.4 135.0 5.5 136.0 4.2
parameter in CDCl3
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1H NMR 300 MHz C5 H10 O2 S 0.05 ml : 0.5 ml CDCl3 methyl 3-(methylthio)propionate 
Parameter ppm Hz
D(A) 3.701 D(B) *1 2.767 D(C) *1 2.631 J(B,C) 7.35 D(D) 2.123
Hz ppm Int.1110.31 3.701 1000 838.73 2.796 60 837.29 2.791 65 831.82 2.773 93 830.87 2.770 120 830.12 2.767 185 824.03 2.747 128 823.06 2.744 137 796.36 2.655 137 795.39 2.651 128 789.30 2.631 185 788.54 2.628 120 787.58 2.625 93 782.13 2.607 65 780.69 2.602 60 636.89 2.123 1000
in CDCl3
liquid film
