3-ETHYL-3-METHYLPENTANE(1067-08-9) MS
Product Name3-ETHYL-3-METHYLPENTANE
CAS1067-08-9
Molecular FormulaC8H18
Molecular Weight114.23
InChIInChI=1S/C8H18/c1-5-8(4,6-2)7-3/h5-7H2,1-4H3
InChIKey GIEZWIDCIFCQPS-UHFFFAOYSA-N
SmilesCCC(CC)(C)CC
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MassMS-NW-3698 3-ethyl-3-methylpentane C8H18 (Mass of molecular ion: 114)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 9.1 29.0 11.3 39.0 5.6 41.0 18.8 42.0 1.8 43.0 100.0 44.0 3.3 53.0 1.9 55.0 6.7 56.0 2.6 57.0 32.1 58.0 1.4 69.0 6.3 84.0 18.5 85.0 71.9 86.0 5.0 99.0 2.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H18 0.04 ml : 0.5 ml CDCl3 3-ethyl-3-methylpentane 
Assign. Shift(ppm)
A 1.193 B 0.757 C 0.742 J(A,B) = 7.5 HZ.
Hz ppm Int.
120.13 1.342 53 118.00 1.318 61 113.94 1.273 56 111.50 1.245 199 110.56 1.235 202 106.56 1.190 80 105.13 1.174 100 103.69 1.158 332 97.88 1.093 156 96.31 1.076 175 79.94 0.893 38 75.63 0.845 239 74.44 0.832 366 73.63 0.823 297 68.00 0.760 813 66.50 0.743 1000 65.44 0.731 241 61.31 0.685 136 60.13 0.672 193 58.19 0.650 119 52.88 0.591 33
in CDCl3
liquid film
