1-Bromo-3,5-dimethyladamantane(941-37-7) 1H NMR
Product Name1-Bromo-3,5-dimethyladamantane
CAS941-37-7
Molecular FormulaC12H19Br
Molecular Weight243.18
InChIInChI=1S/C12H19Br/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3
InChIKey QUCXLVDIVQWYJR-UHFFFAOYSA-N
SmilesC12(Br)CC3(C)CC(CC(C)(C3)C1)C2
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MassMS-IW-9198 1-bromo-3,5-dimethyladamantane C12H19Br (Mass of molecular ion: 242)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 3.0 29.0 3.9 39.0 5.5 40.0 1.0 41.0 9.4 43.0 1.7 51.0 1.5 53.0 3.8 55.0 6.4 65.0 3.3 66.0 1.1 67.0 3.4 69.0 5.4 77.0 5.6 78.0 1.4 79.0 7.6 80.0 2.1 81.0 5.8 82.0 1.4 83.0 1.9 91.0 11.4 92.0 2.3 93.0 12.6 94.0 1.5 95.0 5.8 105.0 5.2 106.0 3.3 107.0 65.0 108.0 6.1 119.0 1.8 121.0 6.8 135.0 1.3 145.0 1.1 147.0 1.4 149.0 1.8 162.0 1.5 163.0 100.0 164.0 13.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H19 Br 0.05 ml : 0.5 ml CDCl3 1-bromo-3,5-dimethyladamantane 
Assign. Shift(ppm)
A 2.167 B 2.15 C *1 2.018 D *1 1.976 E *2 1.410 F *2 1.348 G 1.204 J 0.857
Hz ppm Int.867.19 2.170 201 866.21 2.168 222 865.23 2.165 205 862.67 2.159 81 859.74 2.152 67 856.57 2.144 45 815.55 2.041 66 803.71 2.012 193 792.97 1.985 151 791.99 1.982 140 780.88 1.954 53 780.03 1.952 48 572.39 1.433 50 571.17 1.430 46 559.81 1.401 122 544.07 1.362 97 543.09 1.359 113 542.24 1.357 117 541.38 1.355 101 531.13 1.329 45 529.54 1.326 51 481.20 1.205 217 342.65 0.858 1000
in CDCl3
liquid film
