2,2-DICHLOROPROPANE(594-20-7) IR1
Product Name2,2-DICHLOROPROPANE
CAS594-20-7
Molecular FormulaC3H6Cl2
Molecular Weight112.99
InChIInChI=1S/C3H6Cl2/c1-3(2,4)5/h1-2H3
InChIKey ZEOVXNVKXIPWMS-UHFFFAOYSA-N
SmilesCC(Cl)(Cl)C
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MassMS-NW-4425 2,2-dichloropropane C3H6Cl2 (Mass of molecular ion: 112)
Source Temperature: 230 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 2.0 26.0 3.1 27.0 6.0 35.0 2.1 36.0 2.3 37.0 3.6 38.0 5.2 39.0 20.1 40.0 2.7 41.0 59.4 42.0 2.7 49.0 5.4 51.0 1.8 60.0 1.2 61.0 15.0 62.0 3.1 63.0 6.7 64.0 1.1 75.0 1.2 76.0 2.8 77.0 100.0 78.0 4.4 79.0 32.5 80.0 1.2 96.0 1.0 97.0 20.5 98.0 1.0 99.0 12.9 101.0 2.1
parameter in CCl4
parameter in CDCl3
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1H NMR 300 MHz C3 H6 Cl2 10 vol% in CCl4 2,2-dichloropropane 
Parameter ppm Hz
D(A) 2.21 WHITE,H.F. ANAL.CHEM. 36, 1291 (1964)
Hz ppm Int.663.00 2.210 1000
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1H NMR 300 MHz C3 H6 Cl2 0.04 ml : 0.5 ml CDCl3 2,2-dichloropropane Parameter ppm Hz
D(A) 2.193
Hz ppm Int.657.90 2.193 1000
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
