5-Bromosalicylic acid(89-55-4) IR1
Product Name5-Bromosalicylic acid
CAS89-55-4
Molecular FormulaC7H5BrO3
Molecular Weight217.02
InChIInChI=1S/C7H5BrO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
InChIKey IEJOONSLOGAXNO-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC(Br)=CC=C1O
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MassMS-NW-0358 5-bromosalicylic acid C7H5BrO3 (Mass of molecular ion: 216)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.2 27.0 1.4 28.0 1.1 29.0 1.6 31.0 1.2 37.0 5.0 38.0 6.1 39.0 6.0 45.0 4.6 45.5 1.1 46.0 1.8 49.0 1.3 50.0 3.0 51.0 3.1 52.0 1.1 53.0 9.4 54.0 1.4 55.0 1.1 59.5 1.5 60.0 1.1 61.0 6.0 62.0 11.6 63.0 43.6 64.0 6.4 65.0 1.2 66.0 1.3 68.5 1.9 71.0 1.8 72.0 1.9 74.0 2.3 75.0 1.7 81.0 1.8 85.0 6.6 86.0 5.8 90.0 1.2 91.0 6.1 92.0 2.4 99.0 3.8 99.5 1.2 100.0 4.0 100.5 1.2 117.0 1.7 119.0 4.5 142.0 7.2 143.0 3.4 144.0 7.2 145.0 3.1 170.0 30.7 171.0 3.2 172.0 30.6 173.0 3.2 198.0 100.0 199.0 9.8 200.0 97.7 201.0 8.4 216.0 35.5 217.0 2.8 218.0 34.6 219.0 2.9
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C7 H5 Br O3 0.044 g : 0.5 ml DMSO-d6 5-bromosalicylic acid 
Assign. Shift(ppm)
A 7.875 B 7.652 C 6.956 D 6.7 D-PEAK INCLUDES H2O.
Hz ppm Int.707.03 7.895 702 706.64 7.891 688 704.39 7.866 1000 704.00 7.861 775 702.25 7.842 50 700.98 7.827 30 699.41 7.810 27 698.54 7.800 26 691.60 7.723 662 689.06 7.694 448 686.33 7.664 27 684.38 7.642 26 682.81 7.625 817 680.18 7.595 672 678.03 7.571 30 627.34 7.005 967 626.95 7.001 829 618.55 6.907 784 618.16 6.903 749 595.70 6.652 76
DMSO-d6
CCl4 solution
KBr disc
nujol mull
4880 A,150M,powder
