TRANS-1,2-DIBROMOCYCLOHEXANE(7429-37-0) Raman
Product NameTRANS-1,2-DIBROMOCYCLOHEXANE
CAS7429-37-0
Molecular FormulaC6H10Br2
Molecular Weight241.95
InChIInChI=1/C6H10Br2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2/t5-,6-/s3
InChIKey CZNHKZKWKJNOTE-FJGCHTOXNA-N
Smiles[C@@H]1(Br)CCCC[C@H]1Br |&1:0,6,r|
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MassMS-NW-5656 trans-1,2-dibromocyclohexane C6H10Br2 (Mass of molecular ion: 240)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 6.1 29.0 1.5 39.0 8.7 40.0 1.4 41.0 10.7 50.0 1.4 51.0 2.6 52.0 1.4 53.0 7.9 54.0 3.8 55.0 3.2 65.0 1.5 66.0 1.0 67.0 3.4 77.0 2.2 79.0 7.8 80.0 1.9 81.0 100.0 82.0 7.2 119.0 1.3 121.0 1.3 161.0 10.2 163.0 10.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H10 Br2 0.05 ml : 0.5 ml CDCl3 trans-1,2-dibromocyclohexane 
Assign. Shift(ppm)
A 4.46 B 2.46 C 1.90 D 1.81 E 1.52
Hz ppm Int.1781.98 4.459 1000 986.45 2.469 481 984.01 2.463 558 983.03 2.460 563 980.71 2.454 555 979.74 2.452 585 976.81 2.445 519 969.60 2.427 527 765.01 1.915 558 763.79 1.912 571 761.96 1.907 613 760.25 1.903 524 757.93 1.897 493 756.47 1.893 477 754.64 1.889 475 750.61 1.879 499 747.31 1.870 554 730.22 1.828 532 727.17 1.820 540 723.63 1.811 766 720.58 1.804 756 716.55 1.793 547 713.50 1.786 570 611.45 1.530 596 609.13 1.525 692 605.83 1.516 734 602.29 1.508 676 598.75 1.499 551
in CDCl3
liquid film
4880 A,200 M,liquid
