1,1-Dibromoethane(557-91-5) MS
Product Name1,1-Dibromoethane
CAS557-91-5
Molecular FormulaC2H4Br2
Molecular Weight187.86
InChIInChI=1S/C2H4Br2/c1-2(3)4/h2H,1H3
InChIKey APQIUTYORBAGEZ-UHFFFAOYSA-N
SmilesC(Br)(Br)C
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MassMS-NW-4429 1,1-dibromoethane C2H4Br2 (Mass of molecular ion: 186)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
25.0 1.6 26.0 11.3 27.0 100.0 28.0 3.9 79.0 4.1 80.0 1.6 81.0 4.1 82.0 1.6 105.0 2.5 106.0 1.8 107.0 74.5 108.0 2.7 109.0 69.9 110.0 1.6 171.0 1.0 173.0 2.0 186.0 6.3 188.0 11.9 190.0 5.9
90 MHz in CDCl3
parameter in CDCl3
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1H NMR 89.56 MHz C2 H4 Br2 0.04 ml : 0.5 ml CDCl3 1,1-dibromoethane 
Assign. Shift(ppm)
A 5.842 B 2.458
Hz ppm Int.532.69 5.948 75 526.38 5.878 230 520.13 5.808 233 513.88 5.738 80 223.31 2.494 1000 221.69 2.476 34 217.00 2.423 967
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1H NMR 300 MHz C2 H4 Br2 10 % in CCl4 1,1-dibromoethane Parameter ppm Hz
D(A) 2.461 D(B) 5.811 J(A,B) 6.35 SHEPPARD,N. & TURNER,J.J. PROC.ROY.SOC. A 252, 506 (1959)
Hz ppm Int.1752.86 5.843 82 1746.53 5.822 247 1740.17 5.801 249 1733.84 5.779 85 741.48 2.472 1000 735.12 2.450 988
in CDCl3
liquid film
4880 A,200 M,liquid
