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
Mass
MS-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
1H NMR | 89.56 MHz |
C12 H26 | 0.04 ml : 0.5 ml CDCl3 |
dodecane |
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Assign. Shift(ppm) |
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
Dodecane(112-40-3) Raman Atlas of Related Products
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