Back ChemicalBook Home>CAS DataBase List>400-91-9More Spectrum> 3-BROMO-4,6-DINITROFLUOROBENZENE(400-91-9) 1H NMR
3-BROMO-4,6-DINITROFLUOROBENZENE(400-91-9) 1H NMR
Product Name3-BROMO-4,6-DINITROFLUOROBENZENE
CAS400-91-9
Molecular FormulaC6H2BrFN2O4
Molecular Weight264.99
InChIInChI=1S/C6H2BrFN2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H
InChIKey DLNYTDLCDYDPLV-UHFFFAOYSA-N
SmilesC1(Br)=CC(F)=C([N+]([O-])=O)C=C1[N+]([O-])=O
parameter in benzene
-
1H NMR 300 MHz C6 H2 Br F N2 O4 5 mol% in benzene 1-bromo-5-fluoro-2,4-dinitrobenzene 
Parameter ppm Hz
D(A) 6.337 D(B) 7.686 J(A,B) 0.41 J(A,X) 9.54 J(B,X) 7.02 HUTTON,H.M. ET AL. CAN.J.CHEM. 45, 1795 (1967)
Hz ppm Int.2309.31 7.698 1000 2302.30 7.674 1000 1905.88 6.353 998 1896.34 6.321 998