1,6-Dibromohexane (629-03-8) 13C NMR
Product Name1,6-Dibromohexane
CAS629-03-8
Molecular FormulaC6H12Br2
Molecular Weight243.97
InChIInChI=1S/C6H12Br2/c7-5-3-1-2-4-6-8/h1-6H2
InChIKey SGRHVVLXEBNBDV-UHFFFAOYSA-N
SmilesC(Br)CCCCCBr
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MassMS-NW-1301 1,6-dibromohexane C6H12Br2 (Mass of molecular ion: 242)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
26.0 1.4 27.0 17.6 28.0 2.3 29.0 10.7 39.0 11.0 40.0 2.9 41.0 40.2 42.0 6.4 43.0 19.3 53.0 3.2 54.0 2.7 55.0 65.1 56.0 5.6 57.0 4.7 67.0 4.5 69.0 4.5 81.0 1.8 82.0 5.8 83.0 100.0 84.0 6.6 93.0 1.3 95.0 1.2 107.0 4.7 109.0 4.4 121.0 3.7 123.0 3.3 135.0 1.9 137.0 1.9 162.0 4.1 163.0 6.4 164.0 4.3 165.0 6.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H12 Br2 0.04 ml : 0.5 ml CDCl3 1,6-dibromohexane 
Assign. Shift(ppm)
A 3.409 B 1.88 C 1.50
Hz ppm Int.312.63 3.491 392 306.00 3.417 1000 299.44 3.344 602 181.94 2.032 39 180.88 2.020 38 180.31 2.014 37 179.44 2.004 39 176.94 1.976 66 175.00 1.954 135 174.06 1.944 123 170.75 1.907 114 168.75 1.885 188 167.81 1.874 193 164.69 1.839 112 162.06 1.810 170 158.69 1.772 74 157.88 1.763 69 157.06 1.754 71 156.38 1.747 67 155.38 1.735 82 153.25 1.712 37 152.25 1.700 40 150.50 1.681 37 149.63 1.671 36 149.13 1.666 39 145.69 1.627 50 143.88 1.607 48 143.50 1.603 47 140.44 1.569 129 138.31 1.545 201 135.50 1.513 192 135.00 1.508 195 134.56 1.503 196 133.94 1.496 199 131.44 1.468 268 128.69 1.437 130 127.38 1.423 178 125.00 1.396 70 123.81 1.383 86
in CDCl3
CCl4 solution
liquid film
