1-Chloro-2-methylpropane(513-36-0) IR1
Product Name1-Chloro-2-methylpropane
CAS513-36-0
Molecular FormulaC4H9Cl
Molecular Weight92.57
InChIInChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3
InChIKey QTBFPMKWQKYFLR-UHFFFAOYSA-N
SmilesC(Cl)C(C)C
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MassMS-NW-0913 1-chloro-2-methylpropane C4H9Cl (Mass of molecular ion: 92)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.0 26.0 1.2 27.0 15.9 28.0 1.9 29.0 6.0 37.0 1.1 38.0 2.2 39.0 12.8 40.0 2.0 41.0 50.2 42.0 46.1 43.0 100.0 44.0 3.3 49.0 3.3 50.0 1.0 51.0 1.0 55.0 3.5 56.0 5.3 57.0 1.8 77.0 2.9
parameter in CDCl3
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1H NMR 300 MHz C4 H9 Cl 0.04 ml : 0.5 ml CDCl3 1-chloro-2-methylpropane 
Parameter ppm Hz
D(A) 3.380 D(B) 1.95 D(C) 1.013 J(A,B) 6.13 J(A,C) 0.0 J(B,C) 6.57
Hz ppm Int.1017.09 3.390 335 1010.97 3.370 345 598.10 1.994 25 591.60 1.972 50 585.10 1.950 62 578.71 1.929 51 572.30 1.908 27 307.16 1.024 1000 300.59 1.002 951
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
