1,1,1-TRICHLOROACETONE(918-00-3) MS
Product Name1,1,1-TRICHLOROACETONE
CAS918-00-3
Molecular FormulaC3H3Cl3O
Molecular Weight161.41
InChIInChI=1S/C3H3Cl3O/c1-2(7)3(4,5)6/h1H3
InChIKey SMZHKGXSEAGRTI-UHFFFAOYSA-N
SmilesC(Cl)(Cl)(Cl)C(=O)C
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MassMS-IW-4066 1,1,1-trichloro-2-propanone C3H3Cl3O (Mass of molecular ion: 160)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
14.0 1.2 15.0 11.2 26.0 1.7 27.0 1.5 36.0 1.5 42.0 3.5 43.0 100.0 44.0 3.8 47.0 3.5 49.0 1.3 61.0 3.0 63.0 3.6 82.0 3.7 83.0 8.2 84.0 2.5 85.0 5.3 97.0 7.8 99.0 5.1 117.0 3.3 119.0 3.1 121.0 1.0 125.0 11.5 127.0 7.4 129.0 1.2
parameter in CDCl3
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1H NMR 300 MHz C3 H3 Cl3 O 0.05 ml : 0.5 ml CDCl3 1,1,1-trichloro-2-propanone 
Parameter ppm Hz
D(A) 2.638
Hz ppm Int.791.40 2.638 1000
in CDCl3
liquid film
