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) Raman Atlas of Related Products
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