5-BROMO-2-METHOXYBENZYL ALCOHOL(80866-82-6) MS
Product Name5-BROMO-2-METHOXYBENZYL ALCOHOL
CAS80866-82-6
Molecular FormulaC8H9BrO2
Molecular Weight217.06
InChIInChI=1S/C8H9BrO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4,10H,5H2,1H3
InChIKey HAOOGRLZVQWDBY-UHFFFAOYSA-N
SmilesC1(CO)=CC(Br)=CC=C1OC
-
MassMS-NW-6866 5-bromo-2-methoxybenzyl alcohol C8H9BrO2 (Mass of molecular ion: 216)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 5.5 18.0 1.0 26.0 1.4 27.0 4.7 28.0 3.8 29.0 7.8 31.0 7.8 33.0 1.1 37.0 4.3 38.0 8.4 39.0 20.0 40.0 3.6 41.0 2.6 42.0 1.1 43.0 2.7 45.0 5.7 46.0 1.0 47.0 2.0 49.0 2.0 50.0 17.4 51.0 22.7 52.0 4.2 53.0 5.6 55.0 4.5 61.0 4.8 62.0 9.4 63.0 23.3 64.0 6.8 65.0 22.0 66.0 11.6 67.0 1.2 68.0 1.4 68.5 3.4 73.0 2.3 74.0 9.9 75.0 17.2 76.0 14.3 77.0 44.9 78.0 17.6 79.0 7.0 80.0 1.3 81.0 1.0 82.0 1.2 86.0 1.2 87.0 1.1 89.0 8.8 90.0 11.1 91.0 15.6 92.0 5.6 93.0 5.2 94.0 57.4 95.0 4.4 100.5 1.9 101.5 1.8 104.0 1.6 105.0 3.4 106.0 2.3 107.0 23.4 108.0 44.6 109.0 35.2 110.0 2.8 117.0 1.7 118.0 3.6 119.0 4.6 120.0 1.6 121.0 7.3 122.0 5.6 135.0 4.2 136.0 2.3 137.0 90.9 138.0 8.1 142.0 1.1 143.0 3.9 144.0 1.3 145.0 3.8 154.0 2.6 155.0 10.0 156.0 5.7 157.0 12.1 158.0 3.6 159.0 3.0 169.0 10.5 170.0 5.4 171.0 12.2 172.0 8.4 173.0 4.0 174.0 4.1 175.0 1.6 182.0 1.6 183.0 23.5 184.0 13.7 185.0 35.7 186.0 13.6 187.0 22.2 188.0 3.2 189.0 10.0 190.0 1.2 197.0 1.5 198.0 7.1 199.0 12.6 200.0 13.0 201.0 26.3 202.0 7.9 203.0 14.9 204.0 1.3 213.0 1.4 214.0 1.4 215.0 10.1 216.0 100.0 217.0 17.3 218.0 97.9 219.0 8.9
90 MHz in CDCl3
-
1H NMR 89.56 MHz C8 H9 Br O2 0.041 g : 0.5 ml CDCl3 5-bromo-2-methoxybenzyl alcohol 
Assign. Shift(ppm)
A 7.41 B 7.36 C 6.739 D 4.630 E 3.826 F 2.25
Hz ppm Int.666.00 7.437 32 665.31 7.429 54 663.56 7.410 239 663.06 7.404 184 662.13 7.394 68 655.50 7.320 97 652.94 7.291 63 650.06 7.259 59 607.44 6.783 82 606.69 6.775 77 598.63 6.685 65 414.81 4.632 417 342.94 3.830 1000 202.13 2.257 448
in CDCl3
KBr disc
nujol mull
