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
Mass
MS-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
1H NMR | 89.56 MHz |
C7 H5 Br O3 | 0.044 g : 0.5 ml DMSO-d6 |
5-bromosalicylic acid |
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Assign. Shift(ppm) |
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
5-Bromosalicylic acid(89-55-4) MS Atlas of Related Products
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