Ethyl 3-mercaptopropionate(5466-06-8) MS
Product NameEthyl 3-mercaptopropionate
CAS5466-06-8
Molecular FormulaC5H10O2S
Molecular Weight134.2
InChIInChI=1S/C5H10O2S/c1-2-7-5(6)3-4-8/h8H,2-4H2,1H3
InChIKey CJQWLNNCQIHKHP-UHFFFAOYSA-N
SmilesC(OCC)(=O)CCS
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MassMS-IW-3837 ethyl 3-mercaptopropionate C5H10O2S (Mass of molecular ion: 134)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 2.7 27.0 19.4 28.0 21.8 29.0 22.6 31.0 1.2 33.0 1.0 34.0 1.4 35.0 6.6 42.0 3.6 43.0 8.4 44.0 1.5 45.0 10.9 46.0 6.1 47.0 15.9 55.0 10.2 56.0 1.4 57.0 1.5 58.0 5.0 59.0 11.4 60.0 54.3 61.0 77.3 62.0 6.1 63.0 7.2 71.0 1.0 73.0 12.0 75.0 1.7 87.0 19.6 88.0 96.1 89.0 52.1 90.0 10.4 91.0 2.9 101.0 4.3 105.0 2.1 106.0 7.7 134.0 100.0 135.0 6.5 136.0 5.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H10 O2 S 0.05 ml : 0.5 ml CDCl3 ethyl 3-mercaptopropionate 
Assign. Shift(ppm)
A 4.166 B 2.770 C 2.647 D 1.669 E 1.275
Hz ppm Int.1675.90 4.194 203 1668.70 4.176 529 1661.62 4.158 521 1654.42 4.140 209 1119.63 2.802 113 1118.65 2.800 124 1111.94 2.783 350 1111.33 2.781 224 1110.23 2.779 148 1105.83 2.767 214 1105.22 2.766 261 1104.74 2.765 244 1104.25 2.764 236 1103.52 2.762 313 1097.66 2.747 189 1096.80 2.745 211 1064.21 2.663 310 1063.60 2.662 339 1057.50 2.647 429 1050.78 2.630 171 1049.80 2.627 194 675.29 1.690 253 666.99 1.669 429 658.57 1.648 225 516.48 1.293 672 512.94 1.284 34 509.40 1.275 1000 502.20 1.257 620
in CDCl3
liquid film
