Cycloheptylamine(5452-35-7) MS
Product NameCycloheptylamine
CAS5452-35-7
Molecular FormulaC7H15N
Molecular Weight113.2
InChIInChI=1S/C7H15N/c8-7-5-3-1-2-4-6-7/h7H,1-6,8H2
InChIKey VXVVUHQULXCUPF-UHFFFAOYSA-N
SmilesC1(N)CCCCCC1
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MassMS-NW-3306 cycloheptylamine C7H15N (Mass of molecular ion: 113)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.2 27.0 2.8 28.0 3.9 29.0 1.8 30.0 8.6 39.0 3.1 41.0 5.3 42.0 3.3 43.0 10.8 44.0 1.4 54.0 1.9 55.0 2.1 56.0 100.0 57.0 7.3 67.0 2.1 68.0 1.1 70.0 13.1 81.0 1.4 84.0 2.8 112.0 1.3 113.0 7.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H15 N 0.04 ml : 0.5 ml CDCl3 cycloheptylamine 
Assign. Shift(ppm)
A 2.91 B 2.05 to 1.00 C 1.39
Hz ppm Int.268.19 2.995 31 267.63 2.989 34 264.81 2.957 53 264.38 2.952 54 261.06 2.915 61 260.75 2.912 61 260.06 2.904 59 259.63 2.899 58 257.31 2.874 58 256.69 2.867 59 255.13 2.849 48 252.63 2.821 43 171.06 1.911 33 170.75 1.907 36 169.56 1.894 40 162.75 1.818 132 159.06 1.777 95 157.94 1.764 102 157.44 1.758 102 157.06 1.754 102 156.75 1.751 101 156.38 1.747 101 151.50 1.692 175 150.63 1.682 172 149.88 1.674 170 146.44 1.636 183 138.13 1.543 663 136.81 1.528 668 134.63 1.504 682 124.44 1.390 1000 114.38 1.278 110 113.38 1.266 112 110.75 1.237 92 105.25 1.176 35 104.44 1.167 32
in CDCl3
liquid film
4880 A,200 M,liquid
