Propionyl chloride(79-03-8) 13C NMR
Product NamePropionyl chloride
CAS79-03-8
Molecular FormulaC3H5ClO
Molecular Weight92.52
InChIInChI=1S/C3H5ClO/c1-2-3(4)5/h2H2,1H3
InChIKey RZWZRACFZGVKFM-UHFFFAOYSA-N
SmilesC(Cl)(=O)CC
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MassMS-NW-2719 propionyl chloride C3H5ClO (Mass of molecular ion: 92)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 2.2 15.0 1.7 25.0 3.0 26.0 17.8 27.0 59.9 28.0 15.9 29.0 100.0 30.0 2.3 35.0 2.2 36.0 4.9 37.0 1.3 38.0 1.5 39.0 1.3 41.0 1.3 42.0 4.0 49.0 1.8 53.0 1.1 54.0 1.3 55.0 3.4 56.0 7.8 57.0 99.1 58.0 3.6 63.0 8.4 65.0 2.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C3 H5 Cl O 0.05 ml : 0.5 ml CDCl3 propionyl chloride 
Assign. Shift(ppm)
A 2.93 B 1.24
Hz ppm Int.273.81 3.058 108 273.31 3.052 96 266.13 2.972 388 259.25 2.895 269 258.75 2.890 438 251.81 2.812 144 251.31 2.807 124 117.63 1.314 426 110.44 1.234 1000 108.13 1.208 26 102.94 1.150 341
in CDCl3
liquid film
