1-Bromo-4-butylbenzene(41492-05-1) IR1
Product Name1-Bromo-4-butylbenzene
CAS41492-05-1
Molecular FormulaC10H13Br
Molecular Weight213.11
InChIInChI=1S/C10H13Br/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3
InChIKey BRGVKVZXDWGJBX-UHFFFAOYSA-N
SmilesC1(Br)=CC=C(CCCC)C=C1
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MassMS-IW-9540 1-bromo-4-butylbenzene C10H13Br (Mass of molecular ion: 212)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 5.1 29.0 2.2 38.0 1.0 39.0 6.0 41.0 4.4 43.0 3.8 50.0 3.9 51.0 6.2 52.0 1.2 57.5 1.1 58.0 1.2 62.0 1.6 63.0 6.0 64.0 2.6 65.0 3.0 74.0 1.5 75.0 3.0 76.0 2.5 77.0 8.7 78.0 3.2 89.0 12.1 90.0 20.6 91.0 32.3 92.0 2.5 102.0 2.4 103.0 5.2 104.0 7.9 105.0 2.5 115.0 2.4 116.0 1.7 117.0 1.3 133.0 4.5 156.0 1.6 158.0 1.6 169.0 100.0 170.0 14.2 171.0 97.6 172.0 13.9 183.0 1.1 185.0 1.0 212.0 25.0 213.0 2.8 214.0 24.4 215.0 2.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H13 Br 0.05 ml : 0.5 ml CDCl3 1-bromo-4-butylbenzene 
Assign. Shift(ppm)
A 7.359 B 7.019 C 2.532 D 1.548 E 1.320 F 0.887
Hz ppm Int.2948.12 7.377 107 2945.56 7.371 537 2943.85 7.367 199 2939.09 7.355 224 2937.38 7.350 573 2934.81 7.344 87 2811.28 7.035 115 2808.84 7.029 503 2802.25 7.012 193 2800.54 7.008 424 2800.17 7.007 407 1019.78 2.552 268 1012.08 2.533 360 1004.27 2.513 277 634.16 1.587 90 627.93 1.572 137 626.71 1.569 179 624.76 1.564 121 620.85 1.554 151 619.02 1.549 297 616.21 1.542 131 612.43 1.533 149 611.33 1.530 201 603.64 1.511 107 545.90 1.366 59 538.57 1.348 178 531.13 1.329 254 523.44 1.310 249 516.11 1.292 161 508.79 1.274 50 376.10 0.942 30 375.85 0.941 30 375.12 0.939 30 369.38 0.925 584 366.58 0.918 71 362.06 0.906 1000 354.74 0.888 490
in CDCl3
liquid film
