Methyl 3-mercaptopropionate(2935-90-2) Raman
Product NameMethyl 3-mercaptopropionate
CAS2935-90-2
Molecular FormulaC4H8O2S
Molecular Weight120.17
InChIInChI=1S/C4H8O2S/c1-6-4(5)2-3-7/h7H,2-3H2,1H3
InChIKey LDTLDBDUBGAEDT-UHFFFAOYSA-N
SmilesC(OC)(=O)CCS
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MassMS-NW-8371 methyl 3-mercaptopropionate C4H8O2S (Mass of molecular ion: 120)
Source Temperature: 260 °C Sample Temperature: 130 °C Reservoir, 75 eV
14.0 1.1 15.0 28.6 18.0 3.8 26.0 4.4 27.0 31.2 28.0 69.9 29.0 6.8 30.0 1.4 31.0 11.9 32.0 3.8 33.0 3.5 34.0 3.1 35.0 17.0 39.0 1.0 41.0 3.0 42.0 6.2 43.0 38.4 44.0 3.7 45.0 18.1 46.0 11.6 47.0 30.7 48.0 2.2 49.0 2.0 55.0 34.4 56.0 2.1 57.0 2.8 58.0 7.3 59.0 44.3 60.0 59.6 61.0 92.5 62.0 5.5 63.0 5.2 74.0 6.8 76.0 1.2 77.0 1.9 87.0 15.4 88.0 84.7 89.0 34.9 90.0 5.3 91.0 1.8 92.0 11.6 120.0 100.0 121.0 6.7 122.0 5.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H8 O2 S 0.05 ml : 0.5 ml CDCl3 methyl 3-mercaptopropionate 
Assign. Shift(ppm)
A 3.714 B 2.775 C 2.672 D 1.674
Hz ppm Int.1484.50 3.715 1000 1122.31 2.809 73 1121.34 2.806 77 1114.62 2.789 211 1112.92 2.785 97 1107.79 2.772 206 1106.20 2.768 195 1100.34 2.754 127 1099.61 2.752 136 1073.36 2.686 232 1072.88 2.685 233 1069.70 2.677 47 1066.89 2.670 306 1060.18 2.653 117 1059.08 2.651 120 677.25 1.695 227 668.95 1.674 368 660.64 1.654 192
in CDCl3
liquid film
