6-Bromohexanoic acid(4224-70-8) IR2
Product Name6-Bromohexanoic acid
CAS4224-70-8
Molecular FormulaC6H11BrO2
Molecular Weight195.05
InChIInChI=1S/C6H11BrO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)
InChIKey NVRVNSHHLPQGCU-UHFFFAOYSA-N
SmilesC(O)(=O)CCCCCBr
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MassMS-NW-6191 6-bromohexanoic acid C6H11BrO2 (Mass of molecular ion: 194)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.2 18.0 2.3 26.0 1.8 27.0 15.9 28.0 3.9 29.0 9.8 31.0 1.6 38.0 1.1 39.0 10.6 40.0 2.3 41.0 27.0 42.0 9.3 43.0 7.4 45.0 6.8 48.0 1.0 53.0 2.4 54.0 5.9 55.0 24.4 56.0 2.5 57.0 2.0 59.0 1.3 60.0 100.0 61.0 3.7 67.0 1.8 68.0 2.5 69.0 23.6 70.0 2.6 71.0 1.8 73.0 25.7 74.0 1.2 80.0 1.0 82.0 1.1 85.0 3.3 87.0 3.5 97.0 17.8 98.0 1.4 107.0 1.9 109.0 1.8 114.0 1.2 115.0 15.5 116.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H11 Br O2 0.036 g : 0.5 ml CDCl3 6-bromohexanoic acid 
Assign. Shift(ppm)
A 11. B 3.414 C 2.385 D 1.886 E 1.671 F 1.508
Hz ppm Int.1371.37 3.432 499 1364.59 3.415 1000 1357.81 3.398 529 960.71 2.404 441 953.38 2.386 764 945.87 2.367 466 768.93 1.925 105 761.97 1.907 268 759.41 1.901 69 756.66 1.894 107 754.83 1.889 281 752.63 1.884 131 750.98 1.880 56 749.88 1.877 65 747.14 1.870 297 740.18 1.853 129 684.31 1.713 74 676.98 1.694 219 674.24 1.688 65 673.14 1.685 50 668.92 1.674 265 661.41 1.655 230 659.40 1.650 65 653.90 1.637 116 617.27 1.545 90 616.36 1.543 92 611.59 1.531 119 609.03 1.524 208 605.18 1.515 113 601.70 1.506 288 599.14 1.500 117 596.57 1.493 97 594.01 1.487 112 592.91 1.484 126 586.87 1.469 48 585.77 1.466 49
in CDCl3
KBr disc
liquid film
nujol mull
