trans-1,2-Dimethylcyclohexane(6876-23-9) IR2
Product Nametrans-1,2-Dimethylcyclohexane
CAS6876-23-9
Molecular FormulaC8H16
Molecular Weight112.21
InChIInChI=1/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8-/s3
InChIKey KVZJLSYJROEPSQ-KWTCHIRYNA-N
Smiles[C@@H]1(C)CCCC[C@H]1C |&1:0,6,r|
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MassMS-NW-8340 trans-1,2-dimethylcyclohexane C8H16 (Mass of molecular ion: 112)
Source Temperature: 250 °C Sample Temperature: 140 °C Reservoir, 75 eV
27.0 12.6 28.0 2.8 29.0 12.4 39.0 15.8 40.0 2.8 41.0 44.8 42.0 24.8 43.0 15.4 51.0 1.9 53.0 5.7 54.0 3.4 55.0 100.0 56.0 36.9 57.0 9.2 65.0 1.2 67.0 6.1 68.0 11.0 69.0 30.0 70.0 28.5 71.0 3.0 77.0 1.1 81.0 1.5 82.0 3.3 83.0 18.1 84.0 8.4 97.0 91.9 98.0 7.1 112.0 25.8 113.0 2.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H16 0.04 ml : 0.5 ml CDCl3 trans-1,2-dimethylcyclohexane 
Assign. Shift(ppm)
A 1.78 to 1.47 B 1.47 to 0.96 C 0.89
Hz ppm Int.146.38 1.635 131 79.63 0.890 1000
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
