1-Bromohexane(111-25-1) Raman
Product Name1-Bromohexane
CAS111-25-1
Molecular FormulaC6H13Br
Molecular Weight165.07
InChIInChI=1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3
InChIKey MNDIARAMWBIKFW-UHFFFAOYSA-N
SmilesC(Br)CCCCC
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MassMS2016-05353CW 1-bromohexane C6H13Br (Mass of molecular ion: 164)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
26.0 1.8 27.0 17.8 28.0 4.5 29.0 17.5 38.0 1.1 39.0 15.7 40.0 2.5 41.0 47.3 42.0 22.8 43.0 100.0 44.0 3.2 50.0 1.1 51.0 1.6 53.0 4.1 54.0 2.6 55.0 56.4 56.0 27.1 57.0 19.8 67.0 1.8 69.0 12.4 83.0 1.1 84.0 10.5 85.0 60.2 86.0 4.0 107.0 3.8 109.0 3.6 135.0 46.2 136.0 2.1 137.0 45.0 138.0 2.0 164.0 2.4 166.0 2.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H13 Br 0.05 ml : 0.5 ml CDCl3 1-bromohexane 
Assign. Shift(ppm)
A 3.404 B 1.852 C 1.43 D 1.31 E 0.898
Hz ppm Int.1367.55 3.422 485 1360.72 3.405 942 1353.88 3.388 515 755.00 1.890 118 748.05 1.872 300 745.24 1.865 73 740.84 1.854 347 733.15 1.835 316 726.20 1.818 139 587.16 1.470 66 580.20 1.452 145 579.35 1.450 148 573.12 1.435 210 572.27 1.432 204 568.12 1.422 114 567.02 1.419 124 565.19 1.415 177 557.98 1.397 83 542.72 1.358 53 539.79 1.351 73 539.43 1.350 74 533.57 1.336 148 531.62 1.331 151 527.59 1.321 314 525.15 1.315 567 522.09 1.307 431 520.87 1.304 398 517.94 1.296 373 515.38 1.290 269 511.60 1.281 134 508.30 1.272 79 506.47 1.268 56 504.64 1.263 40 503.66 1.261 45 365.97 0.916 390 359.01 0.899 1000 352.05 0.881 440
in CDCl3
CCl4 solution
liquid film
