2-Amino-5-iodobenzoic acid(5326-47-6) IR2
Product Name2-Amino-5-iodobenzoic acid
CAS5326-47-6
Molecular FormulaC7H6INO2
Molecular Weight263.03
InChIInChI=1S/C7H6INO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey GOLGILSVWFKZRQ-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC(I)=CC=C1N
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MassMS-NW-0302 5-iodoanthranilic acid C7H6INO2 (Mass of molecular ion: 263)
Source Temperature: 150 °C Sample Temperature: 0 °C Direct, 75 eV
28.0 1.0 37.0 1.1 38.0 1.9 39.0 2.5 41.0 1.6 52.0 4.3 53.0 1.3 61.0 1.7 62.0 3.6 63.0 10.7 64.0 3.7 65.0 2.8 75.0 1.3 80.0 2.6 89.0 1.8 90.0 11.3 91.0 7.3 92.0 1.2 108.0 1.7 108.5 5.0 109.0 1.5 122.5 5.5 127.0 2.0 131.5 2.4 136.0 2.1 217.0 14.1 218.0 9.4 245.0 56.7 246.0 5.5 263.0 100.0 264.0 8.3
90 MHz in DMSO-d6
400 MHz in DMSO-d6
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1H NMR 89.56 MHz C7 H6 I N O2 0.037 g : 0.5 ml DMSO-d6 5-iodoanthranilic acid 
Assign. Shift(ppm)
A 7.940 B 7.460 C 7.4 D 6.628
Hz ppm Int.712.22 7.953 892 710.08 7.929 1000 674.02 7.526 551 671.80 7.502 497 665.31 7.429 647 663.00 7.403 620 654.20 7.305 89 618.31 6.904 41 617.80 6.899 39 617.46 6.895 42 597.46 6.672 875 588.75 6.574 703
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1H NMR 399.65 MHz C7 H6 I N O2 0.039 g : 0.5 ml DMSO-d6 5-iodoanthranilic acid Assign. Shift(ppm)
A 7.947 B 7.470 C 6.631
Hz ppm Int.3177.49 7.951 1000 3175.20 7.945 977 2991.18 7.485 498 2988.89 7.479 480 2982.33 7.463 524 2980.19 7.458 504 2654.57 6.643 867 2645.72 6.621 827
in DMSO-d6
KBr disc
nujol mull
