Dodecane(112-40-3) 1H NMR
Molecular FormulaC12H26
Molecular Weight170.33
InChIInChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
InChIKey SNRUBQQJIBEYMU-UHFFFAOYSA-N
SmilesCCCCCCCCCCCC
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MassMS-NW-2010 dodecane C12H26 (Mass of molecular ion: 170)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
27.0 7.6 28.0 2.2 29.0 16.0 39.0 4.1 41.0 23.4 42.0 8.6 43.0 77.9 44.0 2.6 55.0 10.2 56.0 13.5 57.0 100.0 58.0 4.7 69.0 4.6 70.0 11.0 71.0 51.5 72.0 3.0 83.0 2.1 84.0 7.3 85.0 30.4 86.0 2.0 97.0 1.0 98.0 5.6 99.0 6.6 112.0 3.3 113.0 5.8 126.0 1.6 127.0 4.2 141.0 2.2 170.0 6.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C12 H26 0.04 ml : 0.5 ml CDCl3 dodecane 
Assign. Shift(ppm)
A 1.27 B 0.88
Hz ppm Int.113.00 1.262 1000 84.06 0.939 41 82.25 0.919 33 81.81 0.914 32 81.44 0.910 32 78.88 0.881 135 72.81 0.813 29
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
