2-Bromobenzyl alcohol(18982-54-2) IR2
Product Name2-Bromobenzyl alcohol
CAS18982-54-2
Molecular FormulaC7H7BrO
Molecular Weight187.03
InChIInChI=1S/C7H7BrO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
InChIKey IOWGHQGLUMEZKG-UHFFFAOYSA-N
SmilesC1(CO)=CC=CC=C1Br
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MassMS-NW-6229 o-bromobenzyl alcohol C7H7BrO (Mass of molecular ion: 186)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 3.5 26.0 1.3 27.0 4.7 28.0 3.1 29.0 5.6 31.0 4.5 37.0 2.6 38.0 4.8 39.0 10.0 40.0 1.0 43.0 1.3 44.0 1.0 49.0 1.8 50.0 16.3 51.0 24.4 52.0 6.3 53.0 9.7 53.5 2.7 61.0 2.2 62.0 3.9 63.0 7.2 64.0 1.7 73.0 1.5 74.0 5.5 75.0 8.5 76.0 8.9 77.0 88.2 78.0 27.3 79.0 100.0 80.0 6.9 82.0 1.0 86.0 1.0 89.0 10.5 90.0 8.2 91.0 1.4 92.5 1.0 93.5 1.0 105.0 12.8 106.0 2.1 107.0 91.1 108.0 7.6 155.0 3.0 157.0 9.9 158.0 1.2 159.0 6.9 169.0 5.3 170.0 1.1 171.0 5.1 183.0 2.0 185.0 8.6 186.0 51.0 187.0 10.8 188.0 49.4 189.0 4.0
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C7 H7 Br O 0.040 g : 0.5 ml CDCl3 o-bromobenzyl alcohol 
Assign. Shift(ppm)
A 7.527 B 7.453 C 7.310 D 7.146 E 4.713 F 2.41
Hz ppm Int.3012.94 7.539 541 3011.72 7.536 560 3009.16 7.530 42 3008.54 7.528 41 3005.00 7.520 596 3003.78 7.517 617 2983.89 7.467 355 2983.52 7.466 343 2982.79 7.464 332 2982.06 7.462 370 2976.20 7.448 454 2975.83 7.447 425 2975.22 7.445 411 2974.49 7.443 466 2929.57 7.331 315 2928.34 7.328 312 2925.90 7.322 41 2922.24 7.312 560 2921.02 7.309 554 2917.97 7.302 33 2916.99 7.299 33 2914.55 7.293 302 2913.33 7.290 280 2864.26 7.167 305 2862.55 7.163 292 2856.81 7.149 430 2856.32 7.148 416 2855.10 7.145 426 2848.88 7.129 220 2847.17 7.125 212 1886.60 4.721 1000 1880.49 4.706 993 969.97 2.428 278 963.87 2.412 634 957.52 2.396 259
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1H NMR 89.56 MHz C7 H7 Br O saturated in CDCl3 o-bromobenzyl alcohol Assign. Shift(ppm)
A 7.52 B 7.43 C 7.28 D 7.15 E 4.742 F 2.06
Hz ppm Int.680.25 7.596 123 679.00 7.582 113 678.25 7.574 110 675.44 7.542 66 674.88 7.536 73 672.81 7.513 315 671.25 7.495 214 668.63 7.466 92 668.00 7.459 166 667.44 7.453 171 666.75 7.445 107 665.69 7.433 201 665.19 7.428 179 663.75 7.412 126 662.19 7.394 135 656.63 7.332 238 655.06 7.315 171 649.50 7.253 224 648.00 7.236 210 645.69 7.210 140 640.88 7.156 122 640.50 7.152 118 638.38 7.128 111 633.31 7.072 45 631.19 7.048 38 424.75 4.743 1000 184.25 2.058 451
in CDCl3
KBr disc
nujol mull
