Clioquinol(130-26-7) IR1
Product NameClioquinol
CAS130-26-7
Molecular FormulaC9H5ClINO
Molecular Weight305.5
InChIInChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
InChIKey QCDFBFJGMNKBDO-UHFFFAOYSA-N
SmilesN1C2C(=C(Cl)C=C(I)C=2O)C=CC=1
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MassMS-NW-0327 5-chloro-7-iodo-8-quinolinol C9H5ClINO (Mass of molecular ion: 305)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
28.0 1.0 37.0 1.2 38.0 1.4 39.0 2.4 50.0 1.6 51.0 1.0 52.0 1.0 53.0 1.1 57.5 4.3 61.0 3.3 62.0 6.3 63.0 5.7 64.0 1.5 73.0 2.0 74.0 1.5 75.0 5.9 76.0 2.3 85.0 1.4 86.0 3.1 87.0 6.3 88.0 6.4 89.0 2.2 97.0 1.4 114.0 9.1 115.0 17.2 116.0 1.8 121.0 1.3 123.0 7.2 124.0 1.5 125.0 2.4 127.0 1.9 138.5 3.8 139.5 1.2 143.0 1.4 149.0 2.6 150.0 36.5 151.0 4.2 152.0 11.7 152.5 3.3 153.0 1.2 153.5 1.1 178.0 6.0 179.0 1.6 180.0 2.0 242.0 2.0 277.0 4.6 279.0 1.5 305.0 100.0 306.0 10.3 307.0 32.5 308.0 3.4 397.0 6.6
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C9 H5 Cl I N O 0.050 g : 0.5 ml DMSO-d6 5-chloro-7-iodo-8-quinolinol 
Assign. Shift(ppm)
A 8.989 B 8.484 C 7.997 D 7.783 OH-PEAK SPREAD IN THE BASE LINE.
Hz ppm Int.811.28 9.059 31 808.11 9.024 238 806.64 9.007 270 803.96 8.977 271 802.37 8.960 270 798.46 8.916 40 765.50 8.548 233 763.92 8.530 232 761.72 8.506 33 761.23 8.500 31 759.77 8.484 35 756.96 8.452 312 755.37 8.435 279 716.31 7.999 1000 706.54 7.890 32 706.18 7.885 31 705.57 7.879 31 703.00 7.850 299 698.85 7.804 293 694.46 7.755 244 690.31 7.708 232 687.87 7.681 30 686.89 7.670 38
in DMSO-d6
KBr disc
nujol mull
