N-OCTYLBENZENE(2189-60-8) 1H NMR
Product NameN-OCTYLBENZENE
CAS2189-60-8
Molecular FormulaC14H22
Molecular Weight190.32
InChIInChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3
InChIKey CDKDZKXSXLNROY-UHFFFAOYSA-N
SmilesC1(CCCCCCCC)=CC=CC=C1
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MassMS-NW-5802 octylbenzene C14H22 (Mass of molecular ion: 190)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 4.4 29.0 6.7 39.0 4.2 41.0 10.0 42.0 1.5 43.0 10.6 51.0 2.2 53.0 1.0 55.0 3.3 56.0 1.7 57.0 16.7 63.0 1.1 65.0 5.9 69.0 1.5 70.0 1.0 77.0 3.2 78.0 5.2 79.0 2.8 91.0 76.4 92.0 100.0 93.0 8.1 103.0 1.7 104.0 5.2 105.0 9.6 106.0 1.9 115.0 1.2 117.0 2.6 119.0 2.5 133.0 5.9 134.0 1.6 147.0 1.5 190.0 27.1 191.0 4.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C14 H22 0.04 ml : 0.5 ml CDCl3 octylbenzene 
Assign. Shift(ppm)
A 7.43 to 6.98 B 2.59 C 1.60 D 1.28 E 0.88
Hz ppm Int.652.94 7.291 65 650.44 7.263 163 648.00 7.236 149 645.88 7.212 1000 644.50 7.197 936 641.88 7.168 152 640.63 7.154 126 640.13 7.148 105 638.88 7.134 73 638.25 7.127 94 636.94 7.112 88 240.25 2.683 107 239.94 2.680 110 233.25 2.605 217 225.25 2.516 201 143.00 1.597 84 113.94 1.273 976 83.81 0.936 153 81.88 0.915 125 81.44 0.910 125 80.88 0.904 126 78.56 0.878 461 74.56 0.833 63 72.44 0.809 94
in CDCl3
liquid film
4880 A,200 M,liquid
