6-Bromo-1-hexanol(4286-55-9) IR1
Product Name6-Bromo-1-hexanol
CAS4286-55-9
Molecular FormulaC6H13BrO
Molecular Weight181.07
InChIInChI=1S/C6H13BrO/c7-5-3-1-2-4-6-8/h8H,1-6H2
InChIKey FCMCSZXRVWDVAW-UHFFFAOYSA-N
SmilesC(O)CCCCCBr
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MassMS-IW-9051 6-bromo-1-hexanol C6H13BrO (Mass of molecular ion: 180)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 2.1 26.0 1.4 27.0 17.3 28.0 4.8 29.0 14.6 31.0 26.8 38.0 1.0 39.0 15.4 40.0 3.2 41.0 56.4 42.0 27.4 43.0 18.6 44.0 3.7 45.0 2.9 51.0 1.3 53.0 5.0 54.0 10.3 55.0 100.0 56.0 13.0 57.0 6.5 65.0 1.2 67.0 25.9 68.0 3.4 69.0 18.5 70.0 3.0 71.0 4.1 72.0 1.1 79.0 3.0 80.0 6.7 81.0 5.4 82.0 21.9 83.0 70.9 84.0 5.0 85.0 1.0 100.0 1.2 107.0 3.5 109.0 3.4 120.0 1.1 121.0 1.5 122.0 1.1 123.0 1.1 134.0 16.3 135.0 1.4 136.0 15.9 137.0 1.2 162.0 3.1 163.0 1.0 164.0 3.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H13 Br O 0.05 ml : 0.5 ml CDCl3 6-bromo-1-hexanol 
Assign. Shift(ppm)
A 3.87 B 3.637 C 3.420 D 1.874 E 1.583 F 1.468 G 1.387
Hz ppm Int.1546.39 3.870 340 1460.33 3.655 415 1458.25 3.649 76 1453.74 3.638 777 1451.54 3.633 108 1447.14 3.622 412 1373.90 3.438 522 1371.83 3.433 77 1367.07 3.421 1000 1364.99 3.416 124 1360.35 3.404 555 1358.15 3.399 71 763.18 1.910 91 756.35 1.893 258 753.66 1.886 92 749.39 1.876 302 741.58 1.856 279 736.82 1.844 33 734.74 1.839 120 647.58 1.621 80 640.63 1.603 209 633.54 1.586 265 625.98 1.567 248 619.38 1.550 105 603.88 1.512 58 602.78 1.509 57 596.80 1.494 143 594.60 1.488 111 593.38 1.485 108 589.60 1.476 189 588.75 1.474 206 587.77 1.471 203 585.45 1.465 133 584.47 1.463 122 582.64 1.458 167 580.93 1.454 184 578.13 1.447 112 573.97 1.437 119 571.78 1.431 69 567.99 1.422 118 564.33 1.413 121 560.79 1.404 204 558.35 1.398 119 553.96 1.387 246 549.07 1.374 110 547.12 1.369 123 544.92 1.364 131 540.04 1.352 55 537.84 1.346 47
in CDCl3
liquid film
