2,4,6-Triiodophenol(609-23-4) IR1
Product Name2,4,6-Triiodophenol
CAS609-23-4
Molecular FormulaC6H3I3O
Molecular Weight471.8
InChIInChI=1S/C6H3I3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKey VAPDZNUFNKUROY-UHFFFAOYSA-N
SmilesC1(O)=C(I)C=C(I)C=C1I
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MassMS-NW-0280 2,4,6-triiodophenol C6H3I3O (Mass of molecular ion: 472)
Source Temperature: 160 °C Sample Temperature: 0 °C Direct, 75 eV
37.0 1.8 53.0 1.8 61.0 5.6 62.0 12.1 63.0 9.3 90.0 2.5 91.0 8.5 127.0 3.2 128.0 1.6 189.0 5.4 190.0 1.7 217.0 1.4 218.0 15.6 219.0 1.1 236.0 3.6 317.0 2.2 344.0 1.5 345.0 5.8 472.0 100.0 473.0 6.8
parameter in DMSO-d6
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1H NMR 300 MHz C6 H3 I3 O 0.041 g : 0.5 ml DMSO-d6 2,4,6-triiodophenol 
Parameter ppm Hz
D(A) 7.989 D(B) 9.74
Hz ppm Int.2922.00 9.740 24 2396.70 7.989 1000
DMSO-d6
CCl4 solution
KBr disc
nujol mull
