Bisphenol AF(1478-61-1) MS
Product NameBisphenol AF
CAS1478-61-1
Molecular FormulaC15H10F6O2
Molecular Weight336.23
InChIInChI=1S/C15H10F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H
InChIKey ZFVMWEVVKGLCIJ-UHFFFAOYSA-N
SmilesC(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)(C(F)(F)F)C(F)(F)F
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MassMS-NW-7978 4,4'-(hexafluoroisopropylidene)diphenol C15H10F6O2 (Mass of molecular ion: 336)
Source Temperature: 170 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 3.9 27.0 1.3 39.0 4.7 50.0 1.2 51.0 2.1 53.0 1.8 55.0 2.8 57.0 1.1 62.0 1.2 63.0 3.7 64.0 1.1 65.0 2.8 69.0 1.5 70.0 1.0 71.0 1.0 72.0 1.6 75.0 2.0 76.0 4.1 77.0 1.3 84.0 3.4 84.5 1.0 85.0 1.6 89.0 1.0 90.0 4.2 94.0 1.0 98.5 3.2 99.0 16.6 99.5 3.0 100.0 1.0 115.0 3.6 123.0 1.0 123.5 1.1 125.0 1.1 133.0 1.4 133.5 3.0 139.0 2.6 141.0 3.1 143.0 2.9 145.0 1.0 151.0 2.0 152.0 2.1 158.0 1.0 168.0 4.5 169.0 8.0 170.0 3.5 171.0 2.0 181.0 4.6 188.0 1.2 189.0 1.3 197.0 15.1 198.0 7.1 199.0 14.9 200.0 2.7 201.0 4.4 217.0 2.7 218.0 1.3 219.0 4.4 227.0 7.6 228.0 1.7 229.0 2.2 230.0 1.2 237.0 1.2 238.0 2.2 246.0 2.0 247.0 3.5 248.0 1.8 249.0 1.8 265.0 1.6 266.0 2.4 267.0 100.0 268.0 15.5 269.0 1.8 317.0 5.2 335.0 2.2 336.0 52.3 337.0 8.8
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C15 H10 F6 O2 saturated in DMSO-d6 4,4'-(hexafluoroisopropylidene)diphenol 
Assign. Shift(ppm)
A 9.88 B 7.13 C 6.845
Hz ppm Int.884.99 9.882 966 635.67 7.098 523 619.26 6.915 151 618.68 6.908 147 616.48 6.884 1000 614.28 6.859 290 612.01 6.834 121 611.72 6.831 109 611.21 6.825 115 609.67 6.808 217 607.40 6.783 546 605.42 6.760 111 604.76 6.753 101
KBr disc
nujol mull
