1,1,2-TRICHLORO-2-METHYLPROPANE(29559-52-2) IR1
Product Name1,1,2-TRICHLORO-2-METHYLPROPANE
CAS29559-52-2
Molecular FormulaC4H7Cl3
Molecular Weight161.46
InChIInChI=1S/C4H7Cl3/c1-4(2,7)3(5)6/h3H,1-2H3
InChIKey FRRHZKFKOHHEJR-UHFFFAOYSA-N
SmilesC(Cl)(Cl)C(Cl)(C)C
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MassMS-NW-8592 1,1,2-trichloro-2-methylpropane C4H7Cl3 (Mass of molecular ion: 160)
Source Temperature: 250 °C Sample Temperature: 140 °C Reservoir, 75 eV
26.0 1.0 27.0 7.1 29.0 1.6 36.0 1.1 37.0 1.2 38.0 2.1 39.0 9.8 41.0 26.6 42.0 1.0 49.0 4.3 50.0 1.6 51.0 3.4 53.0 11.7 55.0 2.3 61.0 1.9 63.0 4.0 65.0 1.0 73.0 1.3 75.0 2.0 77.0 100.0 78.0 3.7 79.0 32.2 80.0 1.1 83.0 3.4 85.0 2.3 89.0 10.1 90.0 1.0 91.0 3.3 109.0 2.9 111.0 1.8 125.0 7.9 127.0 5.1
parameter in CDCl3
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1H NMR 300 MHz C4 H7 Cl3 0.05 ml : 0.5 ml CDCl3 1,1,2-trichloro-2-methylpropane 
Parameter ppm Hz
D(A) 5.797 D(B) 1.767
Hz ppm Int.1739.10 5.797 167 530.11 1.767 1000
in CDCl3
liquid film
4880 A,200 M,liquid
