2-BROMOHEXANE(3377-86-4) MS
Product Name2-BROMOHEXANE
CAS3377-86-4
Molecular FormulaC6H13Br
Molecular Weight165.07
InChIInChI=1S/C6H13Br/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3
InChIKey NEBYCXAKZCQWAW-UHFFFAOYSA-N
SmilesCC(Br)CCCC
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MassMS-NW-8813 2-bromohexane C6H13Br (Mass of molecular ion: 164)
Source Temperature: 270 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 10.1 28.0 1.8 29.0 9.9 39.0 6.8 40.0 1.4 41.0 24.6 42.0 8.5 43.0 100.0 44.0 3.4 53.0 1.4 55.0 12.2 56.0 4.1 57.0 14.1 69.0 3.1 85.0 67.6 86.0 4.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H13 Br 0.05 ml : 0.5 ml CDCl3 2-bromohexane 
Assign. Shift(ppm)
A 4.130 B *1 1.83 C *1 1.77 D 1.705 E *2 1.49 F *2 1.39 G 1.33 J 0.917
Hz ppm Int.1660.77 4.156 61 1659.42 4.153 31 1655.52 4.143 65 1654.17 4.140 86 1652.71 4.136 70 1648.80 4.126 66 1647.46 4.123 87 1646.12 4.119 70 1640.87 4.106 62 748.05 1.872 49 740.60 1.854 48 740.11 1.852 48 739.14 1.850 61 738.53 1.848 55 735.84 1.842 46 734.01 1.837 77 730.96 1.830 67 730.35 1.828 66 729.49 1.826 64 725.95 1.817 88 724.24 1.813 80 721.44 1.806 62 719.85 1.802 57 716.06 1.792 85 714.48 1.788 97 712.89 1.784 41 710.21 1.778 80 709.11 1.775 70 704.83 1.764 114 699.46 1.751 90 696.17 1.742 46 690.80 1.729 62 690.43 1.728 62 684.69 1.714 992 678.10 1.697 1000 373.41 0.935 392 366.21 0.917 721 359.01 0.899 297
in CDCl3
liquid film
4880 A,200 M,liquid
