3',5'-Bis(trifluoromethyl)acetophenone(30071-93-3) MS
Product Name3',5'-Bis(trifluoromethyl)acetophenone
CAS30071-93-3
Molecular FormulaC10H6F6O
Molecular Weight256.14
InChIInChI=1S/C10H6F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-4H,1H3
InChIKey MCYCSIKSZLARBD-UHFFFAOYSA-N
SmilesC(=O)(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C
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MassMS-NW-8615 3',5'-bis(trifluoromethyl)acetophenone C10H6F6O (Mass of molecular ion: 256)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
15.0 1.6 42.0 2.9 43.0 27.1 50.0 1.3 69.0 2.7 74.0 2.0 75.0 5.4 94.0 1.1 99.0 1.7 125.0 2.5 143.0 5.1 144.0 5.5 145.0 1.2 162.0 1.2 163.0 10.2 193.0 1.7 194.0 3.7 195.0 1.5 213.0 50.2 214.0 4.4 237.0 13.9 238.0 1.5 241.0 100.0 242.0 9.9 256.0 3.6
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C10 H6 F6 O 0.05 ml : 0.5 ml CDCl3 3',5'-bis(trifluoromethyl)acetophenone 
Assign. Shift(ppm)
A 8.40 B 8.09 C 2.722
Hz ppm Int.752.56 8.403 182 752.13 8.399 181 723.81 8.082 80 243.88 2.724 1000
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1H NMR 399.65 MHz C10 H6 F6 O 0.05 ml : 0.5 ml CDCl3 3',5'-bis(trifluoromethyl)acetophenone Assign. Shift(ppm)
A 8.410 B 8.088 C 2.732
Hz ppm Int.3361.33 8.411 302 3360.84 8.410 299 3232.42 8.089 144 1091.92 2.733 1000
in CDCl3
liquid film
