2,2-Dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedione(17587-22-3) MS
Product Name2,2-Dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedione
CAS17587-22-3
Molecular FormulaC10H11F7O2
Molecular Weight296.18
InChIInChI=1S/C10H11F7O2/c1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17/h4H2,1-3H3
InChIKey SQNZLBOJCWQLGQ-UHFFFAOYSA-N
SmilesCC(C)(C)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F
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MassMS-NW-6389 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedione C10H11F7O2 (Mass of molecular ion: 296)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 2.5 28.0 1.7 29.0 13.3 39.0 4.2 41.0 20.6 42.0 1.2 43.0 10.2 44.0 1.5 55.0 1.7 56.0 3.0 57.0 100.0 58.0 4.5 69.0 6.9 81.0 1.1 83.0 1.1 91.0 1.4 112.0 1.0 127.0 4.1 169.0 1.0 191.0 1.3 239.0 9.8 253.0 2.7 268.0 2.3 296.0 1.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H11 F7 O2 0.05 ml : 0.5 ml CDCl3 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedione 
Assign. Shift(ppm)
B 6.094 C 1.238
Hz ppm Int.2435.55 6.095 125 495.12 1.239 1000
in CDCl3
liquid film
