5-Bromo-2-anisaldehyde(25016-01-7) IR2
Product Name5-Bromo-2-anisaldehyde
CAS25016-01-7
Molecular FormulaC8H7BrO2
Molecular Weight215.04
InChIInChI=1S/C8H7BrO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-5H,1H3
InChIKey IJIBRSFAXRFPPN-UHFFFAOYSA-N
SmilesC(=O)C1=CC(Br)=CC=C1OC
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MassMS-NW-6335 5-bromo-o-anisaldehyde C8H7BrO2 (Mass of molecular ion: 214)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 5.0 18.0 3.1 26.0 1.4 27.0 1.5 28.0 2.5 29.0 9.1 31.0 5.1 36.0 1.0 37.0 9.1 38.0 14.4 39.0 6.1 43.0 1.7 45.0 1.0 49.0 3.9 50.0 25.7 51.0 11.4 52.0 1.5 53.0 11.1 60.0 1.3 61.0 7.6 62.0 16.2 63.0 52.5 64.0 16.9 65.0 1.7 66.0 2.1 67.5 1.3 73.0 5.4 74.0 23.0 75.0 38.8 76.0 17.7 77.0 34.4 78.0 13.1 79.0 16.9 80.0 1.5 89.0 6.0 90.0 1.6 91.0 3.4 92.0 11.8 93.0 1.1 103.0 1.2 105.0 1.4 106.0 2.3 107.0 8.3 116.0 1.2 117.0 4.1 118.0 31.8 119.0 5.3 120.0 2.7 134.0 4.9 135.0 7.5 142.0 3.6 143.0 22.1 144.0 4.1 145.0 20.6 146.0 1.2 154.0 18.8 155.0 22.4 156.0 21.7 157.0 24.8 158.0 4.5 159.0 4.7 168.0 17.9 169.0 5.3 170.0 30.9 171.0 15.7 172.0 22.2 173.0 11.8 174.0 6.2 182.0 12.3 183.0 10.1 184.0 12.4 185.0 19.7 186.0 2.6 187.0 10.5 188.0 1.7 196.0 31.2 197.0 23.8 198.0 36.9 199.0 38.8 200.0 9.2 201.0 15.8 202.0 1.6 213.0 29.6 214.0 100.0 215.0 36.1 216.0 91.3 217.0 8.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H7 Br O2 0.044 g : 0.5 ml CDCl3 5-bromo-o-anisaldehyde 
Assign. Shift(ppm)
A 10.380 B 7.910 C 7.623 D 6.899 E 3.925 J(B,C)=2.6HZ, J(B,D)=0.3HZ, J(C,D)=8.8HZ
Hz ppm Int.929.74 10.382 608 710.01 7.928 161 707.37 7.899 203 688.84 7.692 110 686.21 7.663 86 679.98 7.593 136 677.34 7.563 117 621.61 6.941 146 612.82 6.843 111 351.56 3.926 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
