6-BROMO-2-HYDROXY-3-METHOXYBENZALDEHYDE(20035-41-0) IR2
Product Name6-BROMO-2-HYDROXY-3-METHOXYBENZALDEHYDE
CAS20035-41-0
Molecular FormulaC8H7BrO3
Molecular Weight231.04
InChIInChI=1S/C8H7BrO3/c1-12-7-3-2-6(9)5(4-10)8(7)11/h2-4,11H,1H3
InChIKey JUPJZUTYDWXZAQ-UHFFFAOYSA-N
SmilesC(=O)C1=C(Br)C=CC(OC)=C1O
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MassMS-IW-3606 6-bromo-2-hydroxy-3-methoxybenzaldehyde C8H7BrO3 (Mass of molecular ion: 230)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 1.9 26.0 1.8 27.0 1.5 28.0 3.4 29.0 5.8 31.0 1.2 37.0 3.7 38.0 4.0 39.0 4.7 40.0 3.0 41.0 1.3 43.0 1.5 45.0 7.3 49.0 4.5 50.0 14.7 51.0 29.2 52.0 13.0 53.0 10.1 54.0 6.4 55.0 2.1 61.0 5.7 62.0 9.7 63.0 13.0 64.0 3.4 65.0 6.1 66.0 2.9 74.0 2.9 75.0 3.2 77.0 7.8 78.0 5.0 79.0 24.9 80.0 12.3 82.0 1.2 90.0 2.1 91.0 1.9 92.0 3.4 93.0 2.1 94.0 4.6 95.0 1.8 105.0 8.7 106.0 2.8 107.0 41.8 108.0 20.8 109.0 1.7 117.0 1.3 119.0 1.6 121.0 1.5 122.0 3.8 123.0 1.9 131.0 4.3 133.0 5.1 136.0 1.0 143.0 2.2 145.0 1.8 151.0 2.0 154.0 4.4 156.0 4.6 157.0 1.8 158.0 1.5 159.0 7.8 160.0 1.5 161.0 6.8 170.0 2.1 172.0 2.3 173.0 1.1 182.0 1.2 183.0 1.6 184.0 40.6 185.0 5.6 186.0 41.3 187.0 33.9 188.0 4.8 189.0 29.6 190.0 2.2 198.0 3.9 199.0 5.5 200.0 10.8 201.0 11.8 202.0 8.0 203.0 7.2 204.0 1.0 211.0 1.9 212.0 1.4 213.0 2.3 214.0 6.4 215.0 8.6 216.0 5.7 217.0 7.8 229.0 17.0 230.0 100.0 231.0 25.1 232.0 98.1 233.0 9.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H7 Br O3 0.039 g : 0.5 ml CDCl3 6-bromo-2-hydroxy-3-methoxybenzaldehyde 
Assign. Shift(ppm)
A 12.3 B 10.284 C 7.084 D 6.916 E 3.898 J(A,D)=0.8HZ
Hz ppm Int.4907.03 12.279 272 4906.30 12.277 291 4110.07 10.285 489 2836.15 7.097 203 2827.54 7.076 258 2768.01 6.927 150 2759.40 6.905 118 1558.01 3.899 1000
in CDCl3
KBr disc
nujol mull
