[Bis(trifluoroacetoxy)iodo]benzene(2712-78-9) IR1
Product Name[Bis(trifluoroacetoxy)iodo]benzene
CAS2712-78-9
Molecular FormulaC10H5F6IO4
Molecular Weight430.04
InChIInChI=1S/C10H5F6IO4/c11-9(12,13)7(18)20-17(6-4-2-1-3-5-6)21-8(19)10(14,15)16/h1-5H
InChIKey PEZNEXFPRSOYPL-UHFFFAOYSA-N
SmilesI(C1C=CC=CC=1)(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C10 H5 F6 I O4 0.039 g : 0.5 ml DMSO-d6 (bis(trifluoroacetoxy)iodo)benzene 
Assign. Shift(ppm)
A 8.162 B 7.750 C 7.199
Hz ppm Int.3266.72 8.174 437 3265.87 8.172 462 3258.54 8.154 549 3257.32 8.151 415 3104.25 7.768 121 3102.17 7.763 752 3101.07 7.760 851 3100.46 7.758 505 3099.37 7.756 276 3095.83 7.747 289 3093.87 7.742 868 3092.77 7.739 801 3091.31 7.736 167 2885.50 7.221 142 2883.67 7.216 681 2881.84 7.211 285 2877.81 7.201 213 2876.95 7.199 410 2875.73 7.196 1000 2874.27 7.192 312 2873.41 7.190 171 2869.75 7.181 237 2868.04 7.177 536 2865.97 7.172 120
KBr disc
nujol mull
