3-METHYLTHIOPROPIONYL CHLORIDE(7031-23-4) MS
Product Name3-METHYLTHIOPROPIONYL CHLORIDE
CAS7031-23-4
Molecular FormulaC4H7ClOS
Molecular Weight138.62
InChIInChI=1S/C4H7ClOS/c1-7-3-2-4(5)6/h2-3H2,1H3
InChIKey NRHMXMBVLXSSAX-UHFFFAOYSA-N
SmilesC(Cl)(=O)CCSC
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MassMS-IW-9175 3-(methylthio)propionyl chloride C4H7ClOS (Mass of molecular ion: 138)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.1 25.0 1.4 26.0 8.4 27.0 46.6 28.0 9.2 29.0 1.7 32.0 1.3 35.0 8.8 36.0 11.8 37.0 1.2 38.0 4.1 39.0 1.4 41.0 10.9 42.0 1.5 44.0 2.2 45.0 23.2 46.0 11.0 47.0 25.0 48.0 8.1 49.0 5.6 51.5 1.2 53.0 1.5 54.0 1.2 55.0 100.0 56.0 4.4 57.0 2.8 58.0 6.1 59.0 11.1 60.0 2.7 61.0 55.0 62.0 2.1 63.0 7.1 65.0 1.6 73.0 1.5 74.0 11.7 75.0 32.3 76.0 2.1 77.0 1.5 82.0 1.6 91.0 2.0 95.0 1.6 101.0 1.0 102.0 33.8 103.0 8.3 104.0 2.0 138.0 22.8 139.0 1.2 140.0 8.3 150.0 1.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H7 Cl O S 0.05 ml : 0.5 ml CDCl3 3-(methylthio)propionyl chloride 
Assign. Shift(ppm)
A 3.210 B 2.817 C 2.155
Hz ppm Int.1289.92 3.228 556 1286.25 3.219 59 1282.84 3.210 1000 1278.69 3.200 53 1275.63 3.192 641 1133.06 2.836 138 1126.22 2.819 205 1119.51 2.802 117 861.21 2.155 521
in CDCl3
liquid film
