Chloroacetone(78-95-5) 13C NMR
Product NameChloroacetone
CAS78-95-5
Molecular FormulaC3H5ClO
Molecular Weight92.52
InChIInChI=1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3
InChIKey BULLHNJGPPOUOX-UHFFFAOYSA-N
SmilesC(Cl)C(=O)C
-
MassMS-NW-3193 chloroacetone C3H5ClO (Mass of molecular ion: 92)
Source Temperature: 290 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.6 15.0 10.2 26.0 2.0 27.0 5.3 28.0 1.2 29.0 2.9 39.0 1.2 42.0 6.0 43.0 100.0 44.0 2.3 49.0 7.2 51.0 2.3 57.0 1.8 77.0 1.8 92.0 6.6 94.0 2.1
90 MHz in CDCl3
-
1H NMR 89.56 MHz C3 H5 Cl O 0.05 ml : 0.5 ml CDCl3 chloroacetone 
Assign. Shift(ppm)
A 4.126 B 2.306
Hz ppm Int.369.63 4.128 559 206.56 2.307 1000 203.44 2.272 21
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
