2,2-BIS(3-AMINOPHENYL)HEXAFLUOROPROPANE(47250-53-3) IR2
Product Name2,2-BIS(3-AMINOPHENYL)HEXAFLUOROPROPANE
CAS47250-53-3
Molecular FormulaC15H12F6N2
Molecular Weight334.26
InChIInChI=1S/C15H12F6N2/c16-14(17,18)13(15(19,20)21,9-3-1-5-11(22)7-9)10-4-2-6-12(23)8-10/h1-8H,22-23H2
InChIKey UVUCUHVQYAPMEU-UHFFFAOYSA-N
SmilesC(C1C=CC=C(N)C=1)(C1C=CC=C(N)C=1)(C(F)(F)F)C(F)(F)F
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MassMS-IW-7557 3,3'-(hexafluoroisopropylidene)dianiline C15H12F6N2 (Mass of molecular ion: 334)
Source Temperature: 130 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 2.2 28.0 1.1 39.0 1.7 65.0 2.6 83.5 3.4 84.0 1.4 89.5 1.0 97.5 10.7 98.0 14.9 98.5 2.2 99.0 1.1 108.5 1.1 122.0 2.7 122.5 2.5 132.0 3.8 132.5 5.2 151.0 1.1 152.0 1.7 167.0 6.6 168.0 1.9 178.0 1.2 179.0 1.7 180.0 5.3 181.0 1.1 183.0 1.4 195.0 15.0 196.0 8.5 197.0 1.2 198.0 4.5 201.0 1.1 220.0 1.0 225.0 3.4 226.0 1.8 228.0 1.0 229.0 2.1 244.0 3.7 245.0 3.7 246.0 1.0 247.0 1.4 248.0 8.7 249.0 8.2 250.0 1.6 263.0 3.8 264.0 8.4 265.0 31.8 266.0 5.3 295.0 2.7 316.0 2.1 317.0 4.0 318.0 3.1 319.0 1.2 333.0 19.0 334.0 100.0 335.0 16.8 336.0 1.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C15 H12 F6 N2 0.040 g : 0.5 ml CDCl3 3,3'-(hexafluoroisopropylidene)dianiline 
Assign. Shift(ppm)
A 7.122 B 6.814 C 6.68 D 6.666 E 3.61
Hz ppm Int.2855.59 7.146 309 2854.74 7.144 215 2852.05 7.137 48 2847.29 7.125 608 2842.90 7.114 48 2839.84 7.106 321 2839.23 7.105 403 2727.29 6.825 298 2726.56 6.823 306 2718.75 6.803 275 2674.32 6.692 282 2673.46 6.690 316 2672.12 6.687 449 2671.26 6.684 446 2664.43 6.667 967 2663.70 6.666 1000 2653.81 6.641 25 2652.47 6.637 22 1442.26 3.609 120
in CDCl3
KBr disc
nujol mull
