1,1,1-TRIFLUORO-5,5-DIMETHYL-2,4-HEXANEDIONE(22767-90-4) 13C NMR
Product Name1,1,1-TRIFLUORO-5,5-DIMETHYL-2,4-HEXANEDIONE
CAS22767-90-4
Molecular FormulaC8H11F3O2
Molecular Weight196.17
InChIInChI=1S/C8H11F3O2/c1-7(2,3)5(12)4-6(13)8(9,10)11/h4H2,1-3H3
InChIKey BVPKYBMUQDZTJH-UHFFFAOYSA-N
SmilesC(F)(F)(F)C(=O)CC(=O)C(C)(C)C
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MassMS-IW-9016 1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedione C8H11F3O2 (Mass of molecular ion: 196)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 2.6 28.0 1.6 29.0 14.6 39.0 5.2 41.0 26.9 42.0 2.2 43.0 8.2 53.0 1.1 55.0 2.7 56.0 4.5 57.0 100.0 58.0 4.5 59.0 1.0 69.0 15.3 83.0 3.1 113.0 1.0 119.0 1.7 127.0 4.8 139.0 9.4 153.0 2.6 168.0 5.4 196.0 5.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H11 F3 O2 0.05 ml : 0.5 ml CDCl3 1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedione 
Assign. Shift(ppm)
A 15. B 6.047 C 1.235
Hz ppm Int.2416.99 6.048 278 493.65 1.236 1000
in CDCl3
liquid film
