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Product Name3-ethyl-2,2-dimethylpentane
CAS16747-32-3
Molecular FormulaC9H20
Molecular Weight128.26
InChIInChI=1S/C9H20/c1-6-8(7-2)9(3,4)5/h8H,6-7H2,1-5H3
InChIKey CLZCPQKGOAXOJT-UHFFFAOYSA-N
SmilesCC(C)(C)C(CC)CC
MS
1HNMR
13CNMR
IR1
Mass
MS-NW-4594 2,2-dimethyl-3-ethylpentane C9H20 (Mass of molecular ion: 128)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 4.9 29.0 11.4 39.0 4.7 41.0 22.2 42.0 2.9 43.0 20.5 53.0 1.3 55.0 7.8 56.0 57.1 57.0 100.0 58.0 4.7 69.0 2.1 70.0 8.3 71.0 11.2 113.0 1.0
90 MHz in CDCl3
Assign. Shift(ppm) A *1 1.503 B *1 1.077 C 0.920 D 0.854 E 0.733 J(A,C)=7.5HZ. J(A,B)=-13.8HZ. J(A,E)=3.7HZ. J(B,E)=7.4HZ. THE SHIFT VALUES WERE OBTAINED AT 400MHZ.
Hz ppm Int.
103.38 1.155 26 96.38 1.077 22 87.88 0.982 66 86.13 0.962 147 84.25 0.941 37 83.81 0.936 35 81.06 0.906 152 78.31 0.875 35 76.50 0.855 1000 74.75 0.835 85 72.00 0.804 32
in CDCl3
liquid film
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3-ethyl-2,2-dimethylpentane(16747-32-3) 1H NMR Atlas of Related Products