Product Name1,4-Dibromopentane
CAS626-87-9
Molecular FormulaC5H10Br2
Molecular Weight229.94
InChIInChI=1S/C5H10Br2/c1-5(7)3-2-4-6/h5H,2-4H2,1H3
InChIKey CNBFRBXEGGRSPL-UHFFFAOYSA-N
SmilesC(Br)CCC(Br)C
Mass
MS-NW-1055 1,4-dibromopentane C5H10Br2 (Mass of molecular ion: 228)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 1.4 26.0 1.8 27.0 16.8 29.0 6.2 38.0 1.5 39.0 12.8 40.0 2.4 41.0 62.1 42.0 8.1 43.0 11.8 53.0 4.0 55.0 5.1 67.0 2.4 68.0 1.1 69.0 100.0 70.0 5.8 107.0 6.4 109.0 6.0 121.0 1.0 149.0 30.9 150.0 2.5 151.0 29.3 152.0 1.7
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C5 H10 Br2 | 0.02 ml : 0.5 ml CDCl3 |
1,4-dibromopentane |
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Assign. Shift(ppm) |
Hz ppm Int.
314.88 3.516 69 314.50 3.512 77 310.38 3.466 80 309.69 3.458 107 308.44 3.444 264 303.13 3.385 88 302.38 3.377 109 183.88 2.054 82 182.25 2.035 138 181.00 2.021 153 179.44 2.004 154 178.56 1.994 138 178.06 1.989 156 177.25 1.980 167 176.44 1.971 173 175.31 1.958 117 174.38 1.948 88 173.25 1.935 77 171.44 1.915 78 170.88 1.908 104 159.00 1.776 1000 152.31 1.701 931
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
1,4-Dibromopentane(626-87-9) Raman Atlas of Related Products