Product Name2-Iodophenol
CAS533-58-4
Molecular FormulaC6H5IO
Molecular Weight220.01
InChIInChI=1S/C6H5IO/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKey KQDJTBPASNJQFQ-UHFFFAOYSA-N
SmilesC1(O)=CC=CC=C1I
Mass
MS-IW-6989 o-iodophenol C6H5IO (Mass of molecular ion: 220)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
37.0 2.4 38.0 5.4 39.0 15.5 50.0 1.9 53.0 4.6 61.0 1.8 62.0 3.6 63.0 10.7 64.0 8.9 65.0 38.1 66.0 2.9 74.0 1.2 92.0 4.4 93.0 21.5 94.0 1.8 110.0 2.7 127.0 3.2 191.0 1.1 220.0 100.0 221.0 6.6
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C6 H5 I O | 0.028 g : 0.5 ml CDCl3 |
o-iodophenol |
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Assign. Shift(ppm) |
Hz ppm Int.
3066.04 7.672 33 3062.01 7.662 891 3060.67 7.659 945 3058.35 7.653 59 3054.08 7.642 927 3052.73 7.639 968 2900.02 7.257 567 2898.44 7.253 606 2896.85 7.249 73 2896.61 7.248 73 2895.51 7.246 72 2892.70 7.239 729 2891.85 7.236 837 2891.11 7.235 768 2890.26 7.232 764 2887.33 7.225 47 2886.72 7.224 50 2884.52 7.218 771 2882.93 7.214 694 2802.86 7.014 39 2802.37 7.013 41 2798.71 7.003 1000 2797.49 7.000 991 2794.68 6.993 55 2790.77 6.984 841 2789.31 6.980 871 2673.83 6.691 681 2672.36 6.687 711 2670.17 6.682 47 2669.31 6.680 49 2666.63 6.673 733 2665.89 6.671 800 2665.04 6.669 791 2664.43 6.667 764 2661.38 6.660 42 2660.77 6.658 45 2658.69 6.653 601 2657.10 6.649 629 2134.28 5.341 209
in CDCl3
CCl4 solution
KBr disc
nujol mull
2-Iodophenol(533-58-4) 13C NMR Atlas of Related Products
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