TERT-BUTYLCYCLOHEXANE(3178-22-1) MS
Product NameTERT-BUTYLCYCLOHEXANE
CAS3178-22-1
Molecular FormulaC10H20
Molecular Weight140.27
InChIInChI=1S/C10H20/c1-10(2,3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChIKey XTVMZZBLCLWBPM-UHFFFAOYSA-N
SmilesC1(C(C)(C)C)CCCCC1
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MassMS-NW-3836 tert-butylcyclohexane C10H20 (Mass of molecular ion: 140)
Source Temperature: 270 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 4.5 29.0 8.2 39.0 5.3 41.0 23.7 42.0 1.7 43.0 4.4 53.0 2.1 54.0 3.3 55.0 21.2 56.0 100.0 57.0 67.5 58.0 3.1 67.0 10.7 69.0 12.9 81.0 1.7 82.0 14.1 83.0 13.1 125.0 3.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H20 0.04 ml : 0.5 ml CDCl3 tert-butylcyclohexane 
Assign. Shift(ppm)
A 1.95 to 1.45 B 1.45 to 0.73 C 0.831
Hz ppm Int.159.56 1.782 21 154.81 1.729 27 153.44 1.714 28 152.00 1.698 24 85.75 0.958 25 84.25 0.941 26 76.25 0.852 31 74.44 0.832 1000 72.56 0.811 48
in CDCl3
liquid film
4880 A,200 M,liquid
