5-Bromo-2-hydroxybenzyl alcohol(2316-64-5) 13C NMR
Product Name5-Bromo-2-hydroxybenzyl alcohol
CAS2316-64-5
Molecular FormulaC7H7BrO2
Molecular Weight203.03
InChIInChI=1S/C7H7BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-3,9-10H,4H2
InChIKey KNKRHSVKIORZQB-UHFFFAOYSA-N
SmilesC1(CO)=CC(Br)=CC=C1O
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MassMS-IW-0839 5-bromo-2-hydroxybenzyl alcohol C7H7BrO2 (Mass of molecular ion: 202)
Source Temperature: 110 °C Sample Temperature: 90 °C Direct, 75 eV
18.0 2.5 38.0 4.6 39.0 4.3 50.0 3.5 51.0 10.4 52.0 1.9 53.0 2.1 61.5 4.9 62.0 1.6 63.0 3.0 64.0 1.2 65.0 4.0 66.0 1.6 74.0 1.4 75.0 5.2 76.0 4.6 77.0 56.7 78.0 7.6 79.0 1.4 91.0 1.5 92.0 5.5 93.0 1.2 94.0 10.5 95.0 1.0 105.0 2.0 121.0 1.5 143.0 1.0 145.0 1.0 155.0 2.8 156.0 33.3 157.0 5.2 158.0 32.2 159.0 2.4 183.0 1.1 184.0 100.0 185.0 9.7 186.0 98.3 187.0 8.4 188.0 1.2 199.0 1.8 200.0 1.2 201.0 2.0 202.0 45.7 203.0 3.7 204.0 43.5 205.0 3.4
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H7 Br O2 0.038 g : 0.5 ml DMSO-d6 5-bromo-2-hydroxybenzyl alcohol 
Assign. Shift(ppm)
A 9.7 B 7.408 C 7.198 D 6.734 E 4.8 F 4.461
Hz ppm Int.3876.50 9.700 124 2962.04 7.412 304 2959.44 7.406 317 2882.54 7.213 182 2879.94 7.207 171 2873.99 7.192 199 2871.40 7.185 189 2695.47 6.745 459 2686.92 6.724 429 1782.99 4.462 1000
in DMSO-d6
KBr disc
nujol mull
