2',3',4',5',6'-Pentafluoroacetophenone(652-29-9) 1H NMR
Product Name2',3',4',5',6'-Pentafluoroacetophenone
CAS652-29-9
Molecular FormulaC8H3F5O
Molecular Weight210.1
InChIInChI=1S/C8H3F5O/c1-2(14)3-4(9)6(11)8(13)7(12)5(3)10/h1H3
InChIKey FBGHCYZBCMDEOX-UHFFFAOYSA-N
SmilesC(=O)(C1=C(F)C(F)=C(F)C(F)=C1F)C
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MassMS-IW-1328 2',3',4',5',6'-pentafluoroacetophenone C8H3F5O (Mass of molecular ion: 210)
Source Temperature: 250 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 2.9 31.0 3.1 42.0 3.5 43.0 42.6 44.0 1.2 69.0 1.2 74.0 1.0 75.0 1.0 79.0 2.4 93.0 5.0 97.5 1.5 98.0 3.7 99.0 2.8 117.0 16.5 118.0 1.1 143.0 1.0 148.0 2.0 161.0 2.2 167.0 34.6 168.0 4.6 181.0 2.3 195.0 100.0 196.0 7.7 197.0 3.2 210.0 33.0 211.0 2.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H3 F5 O 0.05 ml : 0.5 ml CDCl3 2',3',4',5',6'-pentafluoroacetophenone 
Assign. Shift(ppm)
A 2.644
Hz ppm Int.1058.84 2.650 720 1056.88 2.645 1000 1055.05 2.640 674
liquid film
