CIS-1,2-DIMETHYLCYCLOHEXANE(2207-01-4) MS
Product NameCIS-1,2-DIMETHYLCYCLOHEXANE
CAS2207-01-4
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+
InChIKey KVZJLSYJROEPSQ-OCAPTIKFNA-N
Smiles[C@@H]1(C)CCCC[C@@H]1C |&1:0,6,r|
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MassMS-NW-1104 cis-1,2-dimethylcyclohexane C8H16 (Mass of molecular ion: 112)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 1.0 27.0 15.1 29.0 14.5 39.0 17.1 40.0 2.8 41.0 46.2 42.0 27.6 43.0 13.5 44.0 1.1 51.0 1.8 53.0 5.9 54.0 3.5 55.0 100.0 56.0 35.5 57.0 9.5 65.0 1.1 67.0 6.0 68.0 6.4 69.0 26.9 70.0 39.7 71.0 4.4 77.0 1.1 79.0 1.0 81.0 1.3 82.0 10.8 83.0 41.9 84.0 11.9 96.0 1.5 97.0 70.0 98.0 5.5 112.0 32.0 113.0 3.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H16 0.04 ml : 0.5 ml CDCl3 cis-1,2-dimethylcyclohexane 
Assign. Shift(ppm)
A 1.88 to 1.46 B 1.46 to 1.15 C 0.83 J(A,C)=6.6HZ.
Hz ppm Int.123.88 1.384 358 118.19 1.320 165 76.63 0.856 1000 72.75 0.813 97 72.44 0.809 98 70.06 0.783 718 67.94 0.759 96
in CDCl3
CCl4 solution
liquid film
