3'-(Trifluoromethyl)acetophenone(349-76-8) MS
Product Name3'-(Trifluoromethyl)acetophenone
CAS349-76-8
Molecular FormulaC9H7F3O
Molecular Weight188.15
InChIInChI=1S/C9H7F3O/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-5H,1H3
InChIKey ABXGMGUHGLQMAW-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=CC(C(F)(F)F)=C1)C
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MassMS-IW-7552 3'-(trifluoromethyl)acetophenone C9H7F3O (Mass of molecular ion: 188)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
42.0 1.0 43.0 13.4 50.0 2.5 51.0 1.4 63.0 1.5 69.0 1.2 74.0 1.3 75.0 4.6 76.0 1.1 77.0 1.1 95.0 6.6 119.0 1.1 125.0 3.5 126.0 1.9 145.0 60.2 146.0 4.9 169.0 4.8 173.0 100.0 174.0 8.8 188.0 13.4 189.0 1.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H7 F3 O 0.05 ml : 0.5 ml CDCl3 3'-(trifluoromethyl)acetophenone 
Assign. Shift(ppm)
A 8.213 B 8.145 C 7.818 D 7.622 E 2.654
Hz ppm Int.3282.10 8.213 118 3281.37 8.211 105 3259.28 8.156 69 3251.46 8.136 73 3129.15 7.830 54 3128.54 7.829 61 3127.93 7.827 54 3121.34 7.811 63 3120.73 7.809 72 3120.12 7.808 64 3053.47 7.641 61 3045.65 7.621 101 3037.84 7.602 47 1063.48 2.662 53 1060.67 2.654 1000 1057.74 2.647 30
in CDCl3
liquid film
4880 A,200 M,liquid
