1-PHENYLHEXANE(1077-16-3) 1H NMR
Product Name1-PHENYLHEXANE
CAS1077-16-3
Molecular FormulaC12H18
Molecular Weight162.27
InChIInChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3
InChIKey LTEQMZWBSYACLV-UHFFFAOYSA-N
SmilesC1(CCCCCC)=CC=CC=C1
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MassMS-NW-5140 hexylbenzene C12H18 (Mass of molecular ion: 162)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 5.2 29.0 5.6 39.0 5.5 41.0 7.6 42.0 1.3 43.0 16.6 50.0 1.0 51.0 3.4 52.0 1.0 55.0 3.6 56.0 1.2 63.0 1.7 65.0 8.8 71.0 2.0 77.0 4.9 78.0 6.4 79.0 3.6 82.0 1.3 83.0 2.0 89.0 1.4 91.0 100.0 92.0 95.1 93.0 7.7 103.0 2.2 104.0 2.8 105.0 11.2 106.0 1.9 115.0 1.3 117.0 1.2 119.0 2.9 133.0 5.4 162.0 33.2 163.0 4.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C12 H18 0.04 ml : 0.5 ml CDCl3 hexylbenzene 
Assign. Shift(ppm)
A 7.25 to 7.19 B 2.595 C 1.60 D 1.31 E 0.878
Hz ppm Int.649.81 7.256 170 647.50 7.230 134 645.31 7.206 900 643.81 7.189 1000 640.25 7.149 144 239.75 2.677 117 232.94 2.601 224 225.00 2.513 214 142.00 1.586 95 116.94 1.306 460 84.25 0.941 153 81.56 0.911 132 81.13 0.906 132 78.69 0.879 485 72.81 0.813 98
in CDCl3
liquid film
4880 A,200 M,liquid
