2,2-Bis(4-methylphenyl)hexafluoropropane(1095-77-8) 1H NMR
Product Name2,2-Bis(4-methylphenyl)hexafluoropropane
CAS1095-77-8
Molecular FormulaC17H14F6
Molecular Weight332.28
InChIInChI=1S/C17H14F6/c1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey OWEIAGSMFHSSES-UHFFFAOYSA-N
SmilesC(C1=CC=C(C)C=C1)(C1=CC=C(C)C=C1)(C(F)(F)F)C(F)(F)F
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MassMS-IW-2143 1,1,1,3,3,3-hexafluoro-2,2-di(p-tolyl)propane C17H14F6 (Mass of molecular ion: 332)
Source Temperature: 120 °C Sample Temperature: 100 °C Direct, 75 eV
27.0 1.3 39.0 4.2 41.0 1.0 50.0 1.0 51.0 2.8 63.0 3.4 65.0 5.0 69.0 1.4 75.0 1.3 76.0 1.6 77.0 1.3 82.0 1.2 82.5 1.6 83.0 1.9 89.0 6.5 91.0 4.5 94.5 1.3 95.0 1.6 95.5 2.5 96.0 11.3 96.5 3.9 97.0 3.1 98.0 2.5 107.0 1.0 114.0 1.3 115.0 1.3 120.0 2.4 120.5 4.6 121.0 1.7 121.5 2.2 123.0 1.0 130.0 1.7 131.0 1.3 139.0 1.1 141.0 1.9 151.0 2.6 152.0 2.6 153.0 1.0 155.0 1.6 156.0 1.7 164.0 1.4 165.0 3.5 166.0 1.5 176.0 1.6 177.0 2.0 178.0 14.9 179.0 29.2 180.0 4.7 183.0 2.9 189.0 1.9 190.0 1.0 191.0 3.3 192.0 3.5 193.0 14.3 194.0 7.7 195.0 1.6 196.0 2.0 197.0 2.9 201.0 1.1 207.0 1.0 210.0 1.0 214.0 1.1 223.0 1.9 225.0 1.3 227.0 3.2 228.0 26.5 229.0 4.8 232.0 1.0 233.0 3.8 241.0 1.1 242.0 3.3 243.0 22.7 244.0 4.6 245.0 1.0 246.0 1.2 247.0 4.1 248.0 11.5 249.0 1.8 261.0 1.8 262.0 2.4 263.0 100.0 264.0 17.5 265.0 1.5 297.0 1.6 313.0 6.3 314.0 1.2 317.0 22.1 318.0 3.9 331.0 6.0 332.0 77.9 333.0 14.6 334.0 1.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C17 H14 F6 0.037 g : 0.5 ml CDCl3 1,1,1,3,3,3-hexafluoro-2,2-di(p-tolyl)propane 
Assign. Shift(ppm)
A 7.271 B 7.159 C 2.359
Hz ppm Int.2910.77 7.284 145 2902.47 7.263 208 2864.62 7.168 295 2856.57 7.148 217 942.75 2.359 1000
KBr disc
nujol mull
