1,1,3-Trichloroacetone(921-03-9) MS
Product Name1,1,3-Trichloroacetone
CAS921-03-9
Molecular FormulaC3H3Cl3O
Molecular Weight161.41
InChIInChI=1S/C3H3Cl3O/c4-1-2(7)3(5)6/h3H,1H2
InChIKey ZWILTCXCTVMANU-UHFFFAOYSA-N
SmilesC(Cl)(Cl)C(=O)CCl
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MassMS-NW-8378 1,1,3-trichloroacetone C3H3Cl3O (Mass of molecular ion: 160)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
14.0 1.3 26.0 3.1 27.0 2.9 29.0 1.1 35.0 1.4 36.0 2.5 37.0 1.2 38.0 1.2 41.0 1.2 42.0 13.0 43.0 1.1 47.0 2.7 48.0 5.5 49.0 29.2 50.0 2.1 51.0 9.1 60.0 1.1 61.0 7.4 62.0 1.0 63.0 2.7 76.0 6.3 77.0 100.0 78.0 4.3 79.0 31.8 83.0 20.8 85.0 13.3 87.0 2.2 97.0 2.2 99.0 1.3 111.0 1.4 121.0 1.1 123.0 1.0
parameter in CDCl3
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1H NMR 300 MHz C3 H3 Cl3 O 0.04 ml : 0.5 ml CDCl3 1,1,3-trichloroacetone 
Parameter ppm Hz
D(A) 6.154 D(B) 4.623
Hz ppm Int.1846.20 6.154 500 1386.90 4.623 1000
in CDCl3
liquid film
4880 A,200 M,liquid
