5-Iodosalicylic acid(119-30-2) 1H NMR
Product Name5-Iodosalicylic acid
CAS119-30-2
Molecular FormulaC7H5IO3
Molecular Weight264.02
InChIInChI=1S/C7H5IO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
InChIKey SWDNKOFGNPGRPI-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC(I)=CC=C1O
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MassMS-KW-0207 5-iodosalicylic acid C7H5IO3 (Mass of molecular ion: 264)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 3.0 28.0 1.1 32.0 1.2 37.0 1.3 38.0 2.2 39.0 2.6 45.0 1.3 50.0 1.2 53.0 5.1 61.0 1.9 62.0 4.4 63.0 20.9 64.0 3.8 74.0 1.0 81.0 1.5 91.0 5.3 92.0 3.0 95.0 2.3 109.0 8.6 119.0 1.3 123.0 8.2 124.0 1.0 127.0 1.6 128.0 1.0 132.0 2.0 154.0 1.0 190.0 4.8 191.0 1.0 218.0 21.6 219.0 2.5 246.0 100.0 247.0 8.7 264.0 69.9 265.0 5.5
90 MHz in DMSO-d6
400 MHz in DMSO-d6
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1H NMR 89.56 MHz C7 H5 I O3 0.044 g : 0.5 ml DMSO-d6 5-iodosalicylic acid 
Assign. Shift(ppm)
A 11.4 B 8.036 C 7.777 D 6.818 J(B,C)=2.3HZ J(C,D)=8.7HZ
Hz ppm Int.1026.50 11.462 62 722.99 8.073 41 721.02 8.051 799 718.71 8.025 1000 715.98 7.995 39 715.64 7.991 38 714.87 7.983 39 702.31 7.842 564 700.00 7.816 422 698.29 7.797 57 697.18 7.785 40 693.68 7.746 622 691.28 7.719 537 614.81 6.865 898 613.44 6.850 151 612.24 6.837 61 606.09 6.768 771 603.87 6.743 46
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1H NMR 399.65 MHz C7 H5 I O3 0.038 g : 0.5 ml DMSO-d6 5-iodosalicylic acid Assign. Shift(ppm)
A 8.038 B 7.787 C 6.825
Hz ppm Int.3213.65 8.042 917 3211.36 8.036 1000 3117.83 7.802 553 3115.54 7.796 497 3112.34 7.788 41 3109.13 7.780 538 3106.84 7.774 525 2732.24 6.837 888 2727.97 6.826 34 2723.54 6.815 862
in DMSO-d6
KBr disc
Nujol
