1,2-Dibromobutane(533-98-2) 1H NMR
Product Name1,2-Dibromobutane
CAS533-98-2
Molecular FormulaC4H8Br2
Molecular Weight215.91
InChIInChI=1S/C4H8Br2/c1-2-4(6)3-5/h4H,2-3H2,1H3
InChIKey CZWSZZHGSNZRMW-UHFFFAOYSA-N
SmilesC(Br)C(Br)CC
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MassMS-NW-4359 1,2-dibromobutane C4H8Br2 (Mass of molecular ion: 214)
Source Temperature: 220 °C Sample Temperature: 180 °C Reservoir, 75 eV
26.0 4.1 27.0 21.3 28.0 3.0 29.0 26.1 37.0 1.1 38.0 2.2 39.0 18.1 40.0 1.5 41.0 14.4 50.0 2.2 51.0 2.7 52.0 1.0 53.0 7.8 54.0 1.6 55.0 100.0 56.0 7.0 79.0 1.2 80.0 1.1 81.0 1.2 82.0 1.2 93.0 2.1 95.0 1.9 105.0 1.6 106.0 1.7 107.0 5.8 108.0 1.8 109.0 4.1 119.0 1.6 121.0 1.4 135.0 67.2 136.0 3.4 137.0 65.2 138.0 3.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H8 Br2 0.02 ml : 0.5 ml CDCl3 1,2-dibromobutane 
Assign. Shift(ppm)
A 4.156 B *1 3.851 C *1 3.638 D *2 2.195 E *2 1.831 F 1.073 J(A,B)=4.5HZ J(A,C)=10.0HZ J(B,C)=-10.1HZ
Hz ppm Int.367.63 4.105 107 352.69 3.939 145 348.25 3.889 100 342.56 3.825 380 338.06 3.775 232 333.88 3.729 422 323.94 3.618 359 313.88 3.505 103 196.19 2.191 85 188.88 2.109 85 185.44 2.071 106 178.00 1.988 96 170.94 1.909 113 163.00 1.821 97 102.63 1.146 415 95.38 1.065 1000 88.25 0.986 278 87.50 0.977 163
in CDCl3
liquid film
4880 A,200 M,liquid
