2,2-Bis(3,4-dimethylphenyl)hexafluoropropane(65294-20-4) 1H NMR
Product Name2,2-Bis(3,4-dimethylphenyl)hexafluoropropane
CAS65294-20-4
Molecular FormulaC19H18F6
Molecular Weight360.34
InChIInChI=1S/C19H18F6/c1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3
InChIKey GLFKFHJEFMLTOB-UHFFFAOYSA-N
SmilesC(C1=CC=C(C)C(C)=C1)(C1=CC=C(C)C(C)=C1)(C(F)(F)F)C(F)(F)F
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MassMS-IW-1784 1,1,1,3,3,3-hexafluoro-2,2-di(3,4-xylyl)propane C19H18F6 (Mass of molecular ion: 360)
Source Temperature: 140 °C Sample Temperature: 110 °C Direct, 75 eV
39.0 1.1 51.0 1.2 77.0 2.4 89.0 1.7 96.0 1.7 101.0 1.0 102.0 1.2 103.0 3.1 105.0 1.8 110.0 2.8 110.5 2.2 111.0 2.0 115.0 1.0 127.0 1.5 128.0 1.4 135.5 1.0 137.0 1.5 165.0 1.9 169.0 1.3 170.0 1.4 178.0 2.0 179.0 1.7 180.0 1.5 189.0 2.0 190.0 1.3 191.0 3.8 192.0 4.8 193.0 2.0 203.0 1.0 205.0 2.6 206.0 4.6 207.0 18.6 208.0 3.6 209.0 1.0 211.0 1.6 220.0 1.2 221.0 4.4 222.0 4.3 223.0 1.1 225.0 1.0 238.0 1.1 241.0 1.3 256.0 9.8 257.0 2.1 259.0 1.0 260.0 2.3 261.0 8.3 262.0 1.8 271.0 4.8 272.0 1.3 274.0 1.0 275.0 5.1 276.0 19.5 277.0 3.8 290.0 1.5 291.0 81.3 292.0 16.1 293.0 1.6 305.0 1.0 325.0 1.3 329.0 1.0 330.0 2.5 341.0 3.7 344.0 1.0 345.0 41.5 346.0 8.3 359.0 4.2 360.0 100.0 361.0 20.9 362.0 2.0 374.0 1.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C19 H18 F6 0.035 g : 0.5 ml CDCl3 1,1,1,3,3,3-hexafluoro-2,2-di(3,4-xylyl)propane 
Assign. Shift(ppm)
A 7.15 B 7.10 C *1 2.268 D *1 2.239
Hz ppm Int.2856.81 7.149 146 2839.11 7.104 420 906.37 2.268 1000 900.27 2.253 38 894.78 2.239 919
in CDCl3
KBr disc
nujol mull
