2-IODO-3-HYDROXYPYRIDINE(40263-57-8) 13C NMR
Product Name2-IODO-3-HYDROXYPYRIDINE
CAS40263-57-8
Molecular FormulaC5H4INO
Molecular Weight221
InChIInChI=1S/C5H4INO/c6-5-4(8)2-1-3-7-5/h1-3,8H
InChIKey HJBGMPCMSWJZNH-UHFFFAOYSA-N
SmilesC1(I)=NC=CC=C1O
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MassMS2014-05111CW 2-iodo-3-pyridinol C5H4INO (Mass of molecular ion: 221)
Source Temperature: 240 °C Sample Temperature: 20 °C Direct, 70 eV
18.0 2.0 26.0 2.1 27.0 1.1 28.0 2.7 29.0 1.9 37.0 7.3 38.0 18.3 39.0 56.6 40.0 6.7 49.0 1.1 50.0 1.7 51.0 1.4 52.0 1.1 53.0 1.4 54.0 3.3 63.0 1.7 64.0 7.5 65.0 9.0 66.0 27.1 67.0 13.5 68.0 1.0 75.0 1.0 76.0 1.7 93.0 3.2 94.0 80.8 95.0 4.8 110.5 1.4 127.0 8.9 128.0 1.2 192.0 1.4 221.0 100.0 222.0 6.7
90 MHz in DMSO-d6
400 MHz in DMSO-d6
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1H NMR 89.56 MHz C5 H4 I N O 0.038 g : 0.5 ml DMSO-d6 2-iodo-3-pyridinol 
Assign. Shift(ppm)
A 10.81 B 7.85 C 7.20 D 7.17 J(B,C)=3.9 HZ. J(B,D)=2.3 HZ.
Hz ppm Int.971.90 10.852 29 968.05 10.809 301 706.07 7.884 295 703.76 7.858 307 702.22 7.841 370 699.91 7.815 357 654.03 7.303 104 650.18 7.260 35 646.00 7.214 752 643.95 7.191 724 642.15 7.171 1000 641.64 7.165 766 635.91 7.101 87 633.61 7.075 30
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1H NMR 399.65 MHz C5 H4 I N O saturated in DMSO-d6 2-iodo-3-pyridinol Assign. Shift(ppm)
A 10.8 B 7.840 C 7.209 D 7.150
Hz ppm Int.4333.04 10.843 896 3138.28 7.853 94 3136.29 7.848 704 3135.07 7.845 746 3134.61 7.844 755 3132.32 7.838 739 3131.87 7.837 764 3130.19 7.833 735 2888.49 7.228 522 2885.74 7.221 111 2884.06 7.217 499 2880.55 7.208 934 2878.11 7.202 148 2876.13 7.197 901 2861.33 7.160 874 2860.87 7.159 885 2859.65 7.156 1000 2859.19 7.155 946 2852.94 7.139 491 2851.56 7.136 495
DMSO-d6
KBr disk
nujol mull
