5-Bromovanillin(2973-76-4) IR2
Product Name5-Bromovanillin
CAS2973-76-4
Molecular FormulaC8H7BrO3
Molecular Weight231.04
InChIInChI=1S/C8H7BrO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3
InChIKey KLSHZDPXXKAHIJ-UHFFFAOYSA-N
SmilesC(=O)C1=CC(OC)=C(O)C(Br)=C1
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MassMS-NW-6833 3-bromo-4-hydroxy-5-methoxybenzaldehyde C8H7BrO3 (Mass of molecular ion: 230)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 3.1 18.0 1.8 26.0 1.1 27.0 1.2 28.0 5.7 29.0 6.5 31.0 1.3 32.0 1.2 37.0 3.2 38.0 2.9 39.0 4.1 41.0 1.2 43.0 1.3 49.0 3.8 50.0 14.5 51.0 26.3 52.0 7.6 53.0 12.2 54.0 1.4 55.0 2.2 61.0 4.8 62.0 8.4 63.0 8.8 64.0 2.7 65.0 8.0 66.0 3.8 67.0 1.1 74.0 1.8 75.0 1.2 77.0 4.8 78.0 3.4 79.0 19.4 80.0 3.7 90.0 1.9 91.0 4.4 92.0 2.9 93.0 1.6 94.0 8.5 95.0 1.3 106.0 1.8 107.0 9.1 108.0 4.1 119.0 1.1 121.0 2.0 122.0 2.2 129.0 1.4 130.0 1.3 131.0 3.4 132.0 1.1 133.0 2.4 135.0 6.9 136.0 5.2 143.0 2.2 145.0 1.8 151.0 2.3 152.0 2.2 157.0 1.1 158.0 1.2 159.0 8.6 160.0 1.7 161.0 7.9 173.0 2.2 175.0 1.6 186.0 3.2 187.0 12.4 188.0 3.7 189.0 11.9 199.0 1.0 201.0 5.9 202.0 1.8 203.0 5.4 204.0 1.2 215.0 4.9 216.0 1.1 217.0 4.7 229.0 66.5 230.0 100.0 231.0 73.8 232.0 97.3 233.0 9.2 234.0 1.1
KBr disc
nujol mull
