Product Name1,3-Dibromobutane
CAS107-80-2
Molecular FormulaC4H8Br2
Molecular Weight215.91
InChIInChI=1S/C4H8Br2/c1-4(6)2-3-5/h4H,2-3H2,1H3
InChIKey XZNGUVQDFJHPLU-UHFFFAOYSA-N
SmilesC(Br)CC(Br)C
Mass
MS-NW-4384 1,3-dibromobutane C4H8Br2 (Mass of molecular ion: 214)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
26.0 4.2 27.0 30.7 28.0 1.0 29.0 28.1 38.0 1.5 39.0 14.3 40.0 1.3 41.0 9.9 42.0 1.1 50.0 1.6 51.0 1.7 53.0 5.8 54.0 1.4 55.0 100.0 56.0 5.2 79.0 1.0 80.0 1.0 81.0 1.0 82.0 1.1 93.0 2.1 95.0 2.0 107.0 7.0 109.0 6.5 119.0 1.1 121.0 1.4 134.0 1.9 135.0 59.4 136.0 4.6 137.0 57.2 138.0 2.7 214.0 1.3 216.0 2.5 218.0 1.2
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C4 H8 Br2 | 0.02 ml : 0.5 ml CDCl3 |
1,3-dibromobutane |
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Assign. Shift(ppm) |
Hz ppm Int.
324.94 3.629 196 319.13 3.564 356 318.19 3.553 226 317.56 3.546 234 311.94 3.484 261 208.00 2.323 112 206.25 2.303 165 204.94 2.289 146 200.19 2.236 116 199.44 2.227 165 160.69 1.795 1000 154.00 1.720 939
in CDCl3
liquid film
4880 A,200 M,liquid
1,3-Dibromobutane(107-80-2) 1H NMR Atlas of Related Products