Trichloroethanol(115-20-8) MS
Product NameTrichloroethanol
CAS115-20-8
Molecular FormulaC2H3Cl3O
Molecular Weight149.4
InChIInChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2
InChIKey KPWDGTGXUYRARH-UHFFFAOYSA-N
SmilesC(O)C(Cl)(Cl)Cl
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MassMS-NW-4410 2,2,2-trichloroethanol C2H3Cl3O (Mass of molecular ion: 148)
Source Temperature: 230 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.2 26.0 1.6 28.0 1.5 29.0 4.9 31.0 100.0 35.0 1.3 36.0 1.3 42.0 1.6 47.0 3.0 48.0 3.1 49.0 13.3 50.0 1.1 51.0 4.3 60.0 1.0 61.0 1.3 76.0 1.0 77.0 10.6 79.0 3.3 82.0 3.4 83.0 1.7 84.0 2.3 85.0 1.1 113.0 4.9 115.0 3.3 117.0 2.1 119.0 1.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C2 H3 Cl3 O 0.02 ml : 0.5 ml CDCl3 2,2,2-trichloroethanol 
Assign. Shift(ppm)
A 4.154 B 2.96
Hz ppm Int.372.06 4.155 1000 264.56 2.954 61
in CDCl3
liquid film
4880 A,200 M,liquid
