3,3-Dimethylpentane(562-49-2) MS
Product Name3,3-Dimethylpentane
CAS562-49-2
Molecular FormulaC7H16
Molecular Weight100.2
InChIInChI=1S/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3
InChIKey AEXMKKGTQYQZCS-UHFFFAOYSA-N
SmilesCCC(C)(C)CC
-
MassMS-NW-4699 3,3-dimethylpentane C7H16 (Mass of molecular ion: 100)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 9.3 29.0 11.5 39.0 6.4 41.0 15.7 42.0 2.7 43.0 100.0 44.0 3.4 53.0 1.8 55.0 11.2 56.0 1.3 57.0 6.1 69.0 1.4 70.0 18.0 71.0 69.7 72.0 4.1 85.0 19.3 86.0 1.3
90 MHz in CDCl3
-
1H NMR 89.56 MHz C7 H16 0.04 ml : 0.5 ml CDCl3 3,3-dimethylpentane 
Assign. Shift(ppm)
A 1.203 B 0.797 C 0.792 J(A,C) = 7.6 HZ.
Hz ppm Int.
118.88 1.328 23 115.00 1.285 21 112.44 1.256 75 111.50 1.245 72 107.75 1.204 31 106.06 1.185 40 104.63 1.169 123 98.94 1.105 61 97.31 1.087 68 78.50 0.877 106 77.63 0.867 139 77.25 0.863 142 76.50 0.855 115 73.44 0.821 27 71.31 0.797 1000 68.13 0.761 76 64.31 0.719 59 63.06 0.705 74 61.00 0.682 49
in CDCl3
liquid film
