2,4-DIMETHYL-3-ETHYLPENTANE(1068-87-7) MS
Product Name2,4-DIMETHYL-3-ETHYLPENTANE
CAS1068-87-7
Molecular FormulaC9H20
Molecular Weight128.26
InChIInChI=1S/C9H20/c1-6-9(7(2)3)8(4)5/h7-9H,6H2,1-5H3
InChIKey VLHAGZNBWKUMRW-UHFFFAOYSA-N
SmilesCC(C)C(CC)C(C)C
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MassMS-NW-4592 3-ethyl-2,4-dimethylpentane C9H20 (Mass of molecular ion: 128)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 7.0 29.0 5.9 39.0 5.1 41.0 16.8 42.0 3.7 43.0 100.0 44.0 3.3 53.0 1.4 55.0 6.5 56.0 8.1 57.0 27.1 58.0 1.4 69.0 15.4 70.0 2.0 71.0 4.7 84.0 24.0 85.0 49.8 86.0 3.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H20 0.04 ml : 0.5 ml CDCl3 3-ethyl-2,4-dimethylpentane 
Assign. Shift(ppm)
A 1.74 B 1.25 C 0.904 D *1 0.876 E *1 0.845 F 0.785 J(B,C) = 7.6 HZ. J(B,F) = 5.3 HZ. J(A,F) = 5.1 HZ. J(A,D) = 6.8 HZ.
Hz ppm Int.165.56 1.849 35 160.38 1.791 45 159.31 1.779 47 158.56 1.771 54 153.56 1.715 64 151.81 1.696 51 146.88 1.641 54 145.25 1.622 33 140.31 1.567 35 119.56 1.335 46 118.06 1.319 43 114.06 1.274 51 113.00 1.262 69 111.38 1.244 116 106.63 1.191 103 105.88 1.183 94 104.56 1.168 44 101.31 1.132 50 99.44 1.111 50 88.38 0.987 144 87.50 0.977 186 87.00 0.972 171 86.31 0.964 132 81.88 0.915 966 79.06 0.883 1000 75.13 0.839 820 72.44 0.809 802 70.75 0.790 168 65.13 0.728 64
in CDCl3
liquid film
