1,1,1-Trifluoro-2,4-pentanedione(367-57-7) IR1
Product Name1,1,1-Trifluoro-2,4-pentanedione
CAS367-57-7
Molecular FormulaC5H5F3O2
Molecular Weight154.09
InChIInChI=1S/C5H5F3O2/c1-3(9)2-4(10)5(6,7)8/h2H2,1H3
InChIKey SHXHPUAKLCCLDV-UHFFFAOYSA-N
SmilesC(F)(F)(F)C(=O)CC(=O)C
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MassMS-IW-5622 1,1,1-trifluoro-2,4-pentanedione C5H5F3O2 (Mass of molecular ion: 154)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
14.0 1.5 15.0 5.6 26.0 1.7 27.0 6.3 28.0 3.4 29.0 6.5 31.0 7.1 37.0 1.3 38.0 2.2 39.0 7.8 40.0 1.0 41.0 8.2 42.0 8.5 43.0 85.0 44.0 2.8 45.0 4.0 50.0 1.6 51.0 2.3 53.0 1.9 55.0 4.6 63.0 1.2 67.0 2.0 69.0 87.2 70.0 2.8 71.0 1.0 75.0 1.4 83.0 1.2 84.0 1.9 85.0 100.0 86.0 4.8 87.0 1.2 89.0 3.0 91.0 3.8 97.0 1.9 107.0 1.3 119.0 12.8 120.0 1.6 139.0 23.3 140.0 1.1 154.0 33.4 155.0 3.0 176.0 2.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H5 F3 O2 0.05 ml : 0.5 ml CDCl3 1,1,1-trifluoro-2,4-pentanedione 
Assign. Shift(ppm)
A 11.01 B 5.947 C 2.229
Hz ppm Int.532.71 5.949 260 201.27 2.248 124 199.71 2.230 1000 137.40 1.535 26
in CDCl3
liquid film
COPPER(II), (CH3)2(C6H5)P COMPLEX, IN CHCL3, RT
COPPER(II), (C2H5)3P COMPLEX, IN CHCL3, RT
COPPER(II) COMPLEX, IN TOLUENE, 77K
COPPER(II), (C4H9)3P COMPLEX, IN CHCL3, RT
AS SAME AS ESR-0411, 77K
COPPER(II), (C6H5)2(CH3)P COMPLEX, IN CHCL3, RT
