3-Bromobenzyl alcohol(15852-73-0) IR1
Product Name3-Bromobenzyl alcohol
CAS15852-73-0
Molecular FormulaC7H7BrO
Molecular Weight187.03
InChIInChI=1S/C7H7BrO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
InChIKey FSWNRRSWFBXQCL-UHFFFAOYSA-N
SmilesC1(CO)=CC=CC(Br)=C1
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MassMS-NW-7563 m-bromobenzyl alcohol C7H7BrO (Mass of molecular ion: 186)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 2.3 26.0 1.3 27.0 4.7 28.0 2.7 29.0 6.9 31.0 5.7 37.0 2.8 38.0 5.8 39.0 10.9 40.0 1.0 43.0 1.6 44.0 1.1 49.0 2.3 50.0 20.6 51.0 25.6 52.0 6.5 53.0 11.3 53.5 2.9 55.0 1.0 61.0 2.4 62.0 5.2 63.0 9.0 64.0 2.0 73.0 2.0 74.0 8.5 75.0 12.4 76.0 11.7 77.0 100.0 78.0 38.7 79.0 95.9 80.0 6.1 82.0 1.1 86.0 1.4 87.0 1.1 89.0 13.3 90.0 9.9 91.0 1.5 92.5 1.6 93.5 1.4 105.0 5.7 106.0 1.4 107.0 81.0 108.0 7.5 155.0 6.1 156.0 1.3 157.0 17.1 158.0 2.0 159.0 12.4 169.0 6.3 170.0 1.1 171.0 6.0 183.0 2.9 184.0 1.0 185.0 9.8 186.0 59.4 187.0 11.6 188.0 57.1 189.0 4.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H7 Br O 0.05 ml : 0.5 ml CDCl3 m-bromobenzyl alcohol 
Assign. Shift(ppm)
A 7.415 B 7.358 C 7.16 D 7.15 E 4.501 F 3.48 C AND D WERE CONFIRMED BY LAOCN PROGRAM.
Hz ppm Int.2965.58 7.421 175 2964.48 7.418 274 2963.62 7.416 332 2962.89 7.414 305 2962.16 7.412 276 2961.55 7.411 230 2946.04 7.372 131 2944.09 7.367 162 2943.36 7.365 151 2942.63 7.364 89 2941.77 7.361 77 2940.92 7.359 112 2939.82 7.356 189 2938.11 7.352 169 2937.01 7.349 168 2935.06 7.345 136 2931.88 7.337 37 2930.42 7.333 35 2868.77 7.179 71 2867.31 7.175 75 2863.65 7.166 615 2862.67 7.163 708 2861.69 7.161 213 2861.08 7.159 251 2859.62 7.156 235 2857.30 7.150 335 2856.81 7.149 371 2849.73 7.131 68 2849.12 7.130 67 1799.19 4.502 1000 1798.58 4.501 979 1388.79 3.476 83
in CDCl3
liquid film
4880 A,200 M,liquid
