2,2,3,4-TETRAMETHYLPENTANE(1186-53-4) 13C NMR
Product Name2,2,3,4-TETRAMETHYLPENTANE
CAS1186-53-4
Molecular FormulaC9H20
Molecular Weight128.26
InChIInChI=1S/C9H20/c1-7(2)8(3)9(4,5)6/h7-8H,1-6H3
InChIKey VZFMYOCAEQDWDY-UHFFFAOYSA-N
SmilesCC(C)(C)C(C)C(C)C
-
MassMS-NW-4584 2,2,3,4-tetramethylpentane C9H20 (Mass of molecular ion: 128)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 6.1 28.0 1.0 29.0 10.2 39.0 5.6 41.0 24.1 42.0 2.8 43.0 57.1 44.0 2.0 53.0 1.6 55.0 9.2 56.0 50.2 57.0 100.0 58.0 4.7 69.0 4.6 70.0 11.3 71.0 15.1 84.0 2.3 85.0 15.3 86.0 1.0
90 MHz in CDCl3
-
1H NMR 89.56 MHz C9 H20 0.04 ml : 0.5 ml CDCl3 2,2,3,4-tetramethylpentane 
Assign. Shift(ppm)
A 1.974 B 1.137 C *1 0.882 D 0.873 E *1 0.782 F 0.745 J(A,C)=J(A,E)=6.90HZ. J(A,B)=1.73HZ. J(B,F)=7.20HZ. THE SHIFT VALUES WERE OBTAINED AT 400MHZ.
Hz ppm Int.99.56 1.112 21 82.50 0.922 105 80.00 0.894 27 78.25 0.874 1000 75.63 0.845 108 73.44 0.821 113 70.56 0.788 70 70.06 0.783 107 66.75 0.746 93 63.81 0.713 48 63.19 0.706 56 61.94 0.692 34
in CDCl3
liquid film
