1,3-Dichloroacetone(534-07-6) MS
Product Name1,3-Dichloroacetone
CAS534-07-6
Molecular FormulaC3H4Cl2O
Molecular Weight126.97
InChIInChI=1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2
InChIKey SUNMBRGCANLOEG-UHFFFAOYSA-N
SmilesC(Cl)C(=O)CCl
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MassMS-NW-1433 1,3-dichloro-2-propanone C3H4Cl2O (Mass of molecular ion: 126)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 3.0 26.0 3.6 27.0 11.3 28.0 1.1 29.0 1.4 36.0 1.0 37.0 1.1 38.0 1.2 39.0 1.3 41.0 1.1 42.0 23.9 43.0 1.0 47.0 1.4 48.0 2.8 49.0 48.4 50.0 1.2 51.0 15.3 61.0 1.8 62.0 1.1 76.0 2.2 77.0 100.0 78.0 2.7 79.0 32.0 93.0 1.4 95.0 1.3 121.0 4.0 123.0 3.9 126.0 11.4 128.0 7.1 130.0 1.2
parameter in CDCl3
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1H NMR 300 MHz C3 H4 Cl2 O 0.101 g : 0.5 ml CDCl3 1,3-dichloro-2-propanone 
Parameter ppm Hz
D(A) 4.356
Hz ppm Int.1306.80 4.356 1000
in CDCl3
KBr disc
liquid film
nujol mull
4880 A,200 M,powder
