alpha,alpha,alpha-Trifluoro-o-toluoyl chloride(329-15-7) MS
Product Namealpha,alpha,alpha-Trifluoro-o-toluoyl chloride
CAS329-15-7
Molecular FormulaC8H4ClF3O
Molecular Weight208.57
InChIInChI=1S/C8H4ClF3O/c9-7(13)5-1-3-6(4-2-5)8(10,11)12/h1-4H
InChIKey OXZYBOLWRXENKT-UHFFFAOYSA-N
SmilesC(Cl)(=O)C1=CC=C(C(F)(F)F)C=C1
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MassMS-NW-7682 p-(trifluoromethyl)benzoyl chloride C8H4ClF3O (Mass of molecular ion: 208)
Source Temperature: 270 °C Sample Temperature: 170 °C Reservoir, 75 eV
28.0 1.9 31.0 1.0 37.0 1.4 38.0 2.0 49.0 1.1 50.0 9.9 51.0 2.5 57.0 2.0 62.0 1.2 63.0 2.8 69.0 3.0 73.0 1.1 74.0 4.8 75.0 9.5 76.0 3.5 77.0 2.0 94.0 1.3 95.0 10.9 99.0 1.8 119.0 1.4 125.0 5.6 126.0 2.7 143.0 1.0 144.0 1.7 145.0 61.6 146.0 5.2 161.0 3.4 163.0 1.0 173.0 100.0 174.0 9.0 189.0 1.3 190.0 2.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H4 Cl F3 O 0.05 ml : 0.5 ml CDCl3 p-(trifluoromethyl)benzoyl chloride 
Assign. Shift(ppm)
A 8.348 B 7.905
Hz ppm Int.753.31 8.412 596 752.56 8.403 661 744.44 8.313 923 743.69 8.304 785 711.94 7.950 927 711.38 7.944 1000 703.06 7.851 706 702.44 7.844 566
in CDCl3
liquid film
4880 A,200 M,powder
