2,6-Dinitrobenzaldehyde(606-31-5) Raman
Product Name2,6-Dinitrobenzaldehyde
CAS606-31-5
Molecular FormulaC7H4N2O5
Molecular Weight196.12
InChIInChI=1S/C7H4N2O5/c10-4-5-6(8(11)12)2-1-3-7(5)9(13)14/h1-4H
InChIKey WHFZQNNDIJKLIO-UHFFFAOYSA-N
SmilesC(=O)C1=C([N+]([O-])=O)C=CC=C1[N+]([O-])=O
parameter in benzene-d6 + 20 mol % acetone
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1H NMR 300 MHz C7 H4 N2 O5 in benzene-d6 + 20 mol% acetone 2,6-dinitrobenzaldehyde 
Parameter ppm Hz
D(A) 7.958 D(B) 7.253 D(C) 10.318 J(A,B) 8.25 J(A,C) 0.39 J(B,C) -0.21 BELL,C.L. ET AL. CAN.J.CHEM. 47, 3529 (1969)
Hz ppm Int.3095.42 10.318 890 2391.62 7.972 949 2383.37 7.945 1000 2184.01 7.280 315 2175.73 7.252 507 2167.51 7.225 270
