2,2-DICHLOROETHANOL(598-38-9) MS
Product Name2,2-DICHLOROETHANOL
CAS598-38-9
Molecular FormulaC2H4Cl2O
Molecular Weight114.96
InChIInChI=1S/C2H4Cl2O/c3-2(4)1-5/h2,5H,1H2
InChIKey IDJOCJAIQSKSOP-UHFFFAOYSA-N
SmilesC(O)C(Cl)Cl
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MassMS-NW-5662 2,2-dichloroethanol C2H4Cl2O (Mass of molecular ion: 114)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 1.5 15.0 5.7 26.0 1.6 27.0 1.6 29.0 4.3 31.0 100.0 32.0 1.1 36.0 1.1 42.0 2.2 43.0 5.1 47.0 1.4 48.0 3.1 49.0 3.6 50.0 1.3 51.0 1.2 61.0 1.9 79.0 2.1 83.0 2.2 85.0 1.2 114.0 1.5 116.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C2 H4 Cl2 O 0.04 ml : 0.5 ml CDCl3 2,2-dichloroethanol 
Assign. Shift(ppm)
A 5.738 B 3.948 C 2.62
Hz ppm Int.519.75 5.804 223 514.06 5.740 425 508.50 5.678 260 356.31 3.979 1000 350.69 3.916 919 234.50 2.619 960
in CDCl3
liquid film
