1,3-Dibromoadamantane(876-53-9) MS
Product Name1,3-Dibromoadamantane
CAS876-53-9
Molecular FormulaC10H14Br2
Molecular Weight294.03
InChIInChI=1S/C10H14Br2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8H,1-6H2
InChIKey HLWZKLMEOVIWRK-UHFFFAOYSA-N
SmilesC12(Br)CC3CC(CC(Br)(C3)C1)C2
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MassMS-IW-9059 1,3-dibromoadamantane C10H14Br2 (Mass of molecular ion: 292)
Source Temperature: 160 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 4.4 29.0 1.8 39.0 9.7 40.0 1.5 41.0 9.4 50.0 1.0 51.0 4.2 52.0 2.2 53.0 4.6 55.0 8.0 57.0 1.0 58.0 1.1 63.0 1.6 64.0 3.4 65.0 10.8 66.0 3.4 67.0 5.0 77.0 12.2 78.0 5.6 79.0 12.5 80.0 2.3 81.0 2.4 82.0 1.4 91.0 23.1 92.0 6.4 93.0 12.3 94.0 1.1 105.0 10.9 106.0 2.0 107.0 1.4 115.0 1.1 117.0 1.6 119.0 1.9 131.0 1.0 133.0 34.1 134.0 8.1 135.0 1.2 157.0 5.8 159.0 6.0 171.0 2.8 173.0 2.5 213.0 100.0 214.0 11.3 215.0 97.3 216.0 11.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H14 Br2 0.040 g : 0.5 ml CDCl3 1,3-dibromoadamantane 
Assign. Shift(ppm)
A 2.866 B *1 2.31 C *1 2.29 D 2.24 E 1.702
Hz ppm Int.1145.51 2.867 537 934.81 2.340 55 934.20 2.338 52 932.13 2.333 66 919.31 2.301 1000 904.05 2.263 124 902.34 2.258 107 898.32 2.248 165 895.63 2.242 183 893.43 2.236 133 683.23 1.710 188 682.62 1.709 179 680.30 1.703 326 677.37 1.695 175
in CDCl3
KBr disc
nujol mull
