Trifluoroacetophenone(434-45-7) Raman
Product NameTrifluoroacetophenone
CAS434-45-7
Molecular FormulaC8H5F3O
Molecular Weight174.12
InChIInChI=1S/C8H5F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5H
InChIKey KZJRKRQSDZGHEC-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=CC=C1)C(F)(F)F
-
MassMS-NW-2205 2,2,2-trifluoroacetophenone C8H5F3O (Mass of molecular ion: 174)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
27.0 2.5 37.0 1.6 38.0 2.8 38.5 1.4 39.0 2.0 49.0 1.2 50.0 12.3 51.0 30.9 52.0 1.4 52.5 2.3 69.0 3.6 74.0 4.1 75.0 3.0 76.0 3.4 77.0 84.9 78.0 6.0 95.0 1.0 104.0 1.5 105.0 100.0 106.0 7.8 174.0 7.7
90 MHz in CDCl3
-
1H NMR 89.56 MHz C8 H5 F3 O 0.04 ml : 0.5 ml CDCl3 2,2,2-trifluoroacetophenone 
Assign. Shift(ppm)
A 8.07 B 7.73 C 7.54
Hz ppm Int.728.81 8.138 296 727.38 8.122 443 726.69 8.115 415 725.69 8.103 324 724.56 8.091 204 723.00 8.073 160 720.69 8.048 471 719.94 8.039 571 718.94 8.028 586 717.94 8.017 438 699.06 7.806 120 697.44 7.788 81 691.81 7.725 347 691.44 7.721 359 688.75 7.691 159 686.63 7.667 403 684.94 7.648 676 682.44 7.620 780 681.75 7.613 1000 680.19 7.595 397 677.00 7.560 314 675.88 7.547 330 674.38 7.530 762 673.75 7.523 496 672.31 7.507 133 669.56 7.477 128 667.94 7.459 247 665.63 7.433 200
CCl4 solution
liquid film
