1,1-Dibromoethane(557-91-5) 13C NMR
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
-
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
parameter in CDCl3
90 MHz in CDCl3
-
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
-
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
in CDCl3
liquid film
4880 A,200 M,liquid
