3,5-Dibromo-4-hydroxybenzoic acid(3337-62-0) MS
Product Name3,5-Dibromo-4-hydroxybenzoic acid
CAS3337-62-0
Molecular FormulaC7H4Br2O3
Molecular Weight295.91
InChIInChI=1S/C7H4Br2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)
InChIKey PHWAJJWKNLWZGJ-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC(Br)=C(O)C(Br)=C1
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MassMS-IW-0060 3,5-dibromo-4-hydroxybenzoic acid C7H4Br2O3 (Mass of molecular ion: 294)
Source Temperature: 210 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.0 37.0 1.4 45.0 1.3 51.0 2.6 53.0 3.4 61.0 4.3 62.0 8.3 63.0 6.3 79.0 1.9 80.0 1.0 85.0 1.3 86.0 1.1 90.0 4.1 91.0 3.0 119.0 1.0 133.0 2.3 134.0 3.2 135.0 1.7 139.5 1.0 141.0 1.8 142.0 1.1 143.0 2.2 169.0 2.0 170.0 4.4 171.0 2.4 172.0 4.3 197.0 1.7 199.0 1.8 221.0 1.1 223.0 2.1 225.0 1.0 249.0 3.4 250.0 1.2 251.0 6.7 252.0 1.3 253.0 3.3 277.0 31.7 278.0 2.8 279.0 61.9 280.0 5.0 281.0 30.6 282.0 2.3 294.0 50.9 295.0 4.5 296.0 100.0 297.0 8.1 298.0 49.3 299.0 3.9
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H4 Br2 O3 0.031 g : 0.5 ml DMSO-d6 3,5-dibromo-4-hydroxybenzoic acid 
Assign. Shift(ppm)
A *1 13. B *1 11. C 8.029
Hz ppm Int.3212.95 8.040 20 3209.11 8.030 1000 3205.26 8.021 22
in DMSO-d6
KBr disc
nujol mull
