1,2-Dichloroisobutane(594-37-6) IR1
Product Name1,2-Dichloroisobutane
CAS594-37-6
Molecular FormulaC4H8Cl2
Molecular Weight127.01
InChIInChI=1S/C4H8Cl2/c1-4(2,6)3-5/h3H2,1-2H3
InChIKey OQPNDCHKFIHPBY-UHFFFAOYSA-N
SmilesC(Cl)C(Cl)(C)C
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MassMS-NW-4385 1,2-dichloro-2-methylpropane C4H8Cl2 (Mass of molecular ion: 126)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 1.3 26.0 1.6 27.0 10.3 28.0 1.2 29.0 9.5 36.0 1.4 37.0 1.5 38.0 2.4 39.0 16.7 40.0 1.9 41.0 38.4 42.0 1.5 49.0 5.8 50.0 1.6 51.0 2.1 53.0 3.7 54.0 1.5 55.0 26.1 56.0 2.7 61.0 1.4 62.0 1.2 63.0 4.7 65.0 1.5 75.0 9.0 76.0 7.8 77.0 100.0 78.0 5.4 79.0 30.9 80.0 1.1 91.0 12.0 93.0 4.0 111.0 3.0 113.0 2.0
parameter in CDCl3
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1H NMR 300 MHz C4 H8 Cl2 0.02 ml : 0.5 ml CDCl3 1,2-dichloro-2-methylpropane 
Parameter ppm Hz
D(A) 3.702 D(B) 1.665
Hz ppm Int.1110.60 3.702 333 499.49 1.665 1000
in CDCl3
liquid film
4880 A,200 M,liquid
