Cyclododecane(294-62-2) IR1
Product NameCyclododecane
CAS294-62-2
Molecular FormulaC12H24
Molecular Weight168.32
InChIInChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2
InChIKey DDTBPAQBQHZRDW-UHFFFAOYSA-N
SmilesC1CCCCCCCCCCC1
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MassMS2016-05363CM cyclododecane C12H24 (Mass of molecular ion: 168)
Source Temperature: 250 °C Sample Temperature: 20 °C Direct, 70 eV
27.0 11.3 28.0 4.7 29.0 20.4 39.0 15.0 40.0 3.0 41.0 68.4 42.0 23.7 43.0 44.6 44.0 1.5 53.0 6.3 54.0 10.6 55.0 100.0 56.0 70.6 57.0 44.5 58.0 1.9 65.0 1.1 66.0 1.3 67.0 15.1 68.0 29.3 69.0 88.8 70.0 68.4 71.0 16.4 79.0 1.1 81.0 6.5 82.0 38.2 83.0 86.2 84.0 45.1 85.0 10.9 95.0 1.9 96.0 17.4 97.0 63.9 98.0 29.7 99.0 3.0 110.0 7.2 111.0 39.5 112.0 18.0 113.0 1.8 124.0 2.8 125.0 17.8 126.0 9.0 138.0 1.1 139.0 5.1 140.0 18.5 141.0 2.0 168.0 34.2 169.0 4.5
in CDCl3
parameter in CDCl3
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1H NMR 300 MHz C12 H24 0.047 g : 0.5 ml CDCl3 cyclododecane 
Parameter ppm Hz
D(A) 1.341
Hz ppm Int.402.30 1.341 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
