1-Bromododecane(143-15-7) 13C NMR
Product Name1-Bromododecane
CAS143-15-7
Molecular FormulaC12H25Br
Molecular Weight249.23
InChIInChI=1S/C12H25Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
InChIKey PBLNBZIONSLZBU-UHFFFAOYSA-N
SmilesC(Br)CCCCCCCCCCC
-
MassMS-NW-8346 1-bromododecane C12H25Br (Mass of molecular ion: 248)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
27.0 9.8 28.0 2.5 29.0 18.5 39.0 6.5 40.0 1.3 41.0 42.1 42.0 10.9 43.0 89.0 44.0 3.0 53.0 2.4 54.0 2.3 55.0 49.6 56.0 15.6 57.0 100.0 58.0 4.5 67.0 2.6 68.0 2.0 69.0 41.2 70.0 10.5 71.0 48.8 72.0 2.7 82.0 1.5 83.0 17.6 84.0 4.6 85.0 26.1 86.0 1.7 97.0 8.0 98.0 2.1 99.0 6.2 107.0 1.5 109.0 1.5 111.0 2.1 113.0 4.0 121.0 1.1 123.0 1.0 127.0 1.6 135.0 60.1 136.0 2.8 137.0 58.4 138.0 2.6 149.0 10.2 150.0 1.0 151.0 10.0 163.0 1.1 165.0 1.1
90 MHz in CDCl3
-
1H NMR 89.56 MHz C12 H25 Br 0.04 ml : 0.5 ml CDCl3 1-bromododecane 
Assign. Shift(ppm)
A 3.396 B 1.86 C 1.50 D 1.47 to 1.05 E 0.88
Hz ppm Int.311.38 3.477 89 304.56 3.401 226 297.94 3.327 124 172.81 1.930 23 172.25 1.924 22 166.19 1.856 35 165.81 1.852 34 159.19 1.778 30 129.63 1.448 25 129.19 1.443 26 125.50 1.402 40 123.25 1.377 51 113.19 1.264 1000 84.13 0.940 46 81.94 0.915 38 81.44 0.910 38 80.88 0.904 37 78.88 0.881 160 75.00 0.838 25 72.88 0.814 35
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
