4,4'-(Hexafluoroisopropylidene)diphthalic anhydride(1107-00-2) MS
Product Name4,4'-(Hexafluoroisopropylidene)diphthalic anhydride
CAS1107-00-2
Molecular FormulaC19H6F6O6
Molecular Weight444.24
InChIInChI=1S/C19H6F6O6/c20-18(21,22)17(19(23,24)25,7-1-3-9-11(5-7)15(28)30-13(9)26)8-2-4-10-12(6-8)16(29)31-14(10)27/h1-6H
InChIKey QHHKLPCQTTWFSS-UHFFFAOYSA-N
SmilesC(C1C=CC2C(=O)OC(=O)C=2C=1)(C1C=CC2C(=O)OC(=O)C=2C=1)(C(F)(F)F)C(F)(F)F
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MassMS-IW-3617 4,4'-(hexafluoroisopropylidene)bis(phthalic anhydride) C19H6F6O6 (Mass of molecular ion: 444)
Source Temperature: 170 °C Sample Temperature: 140 °C Direct, 75 eV
12.0 3.6 18.0 2.4 63.0 1.0 74.0 2.5 75.0 5.8 81.0 1.3 86.0 1.3 87.0 1.2 90.5 2.5 103.0 1.2 105.0 1.6 105.5 2.8 106.0 2.0 111.0 1.2 115.0 4.8 115.5 3.1 125.0 1.1 129.5 1.9 131.0 1.1 161.0 1.9 162.0 1.3 178.0 9.9 178.5 1.9 180.0 1.5 181.0 5.8 210.0 1.2 211.0 3.7 212.0 2.5 219.0 1.9 230.0 6.9 231.0 9.6 232.0 1.4 247.0 1.1 250.0 1.2 259.0 1.3 275.0 1.2 300.0 2.9 303.0 1.5 327.0 3.0 328.0 13.7 329.0 2.4 344.0 1.1 371.0 1.5 381.0 1.1 400.0 100.0 401.0 19.8 402.0 2.7 425.0 1.7 444.0 18.7 445.0 4.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C19 H6 F6 O6 0.049 g : 0.5 ml DMSO-d6 4,4'-(hexafluoroisopropylidene)bis(phthalic anhydride) 
Assign. Shift(ppm)
A 7.831 B 7.698 C 7.643
Hz ppm Int.3134.28 7.843 804 3125.98 7.822 1000 3076.66 7.699 623 3058.23 7.653 341 3050.17 7.633 288
KBr disc
nujol mull
