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7-Nitroisoquinoline(13058-73-6) 1H NMR
Product Name7-Nitroisoquinoline
CAS13058-73-6
Molecular FormulaC9H6N2O2
Molecular Weight174.16
InChIInChI=1S/C9H6N2O2/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9/h1-6H
InChIKey NYHHIPIPUVLUFF-UHFFFAOYSA-N
SmilesC1C2=C(C=CC([N+]([O-])=O)=C2)C=CN=1
parameter in CDCl3
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1H NMR 300 MHz C9 H6 N2 O2 10 % in CDCl3 7-nitroisoquinoline 
Parameter ppm Hz
D(A) 9.62 D(B) 8.88 D(C) 7.83 D(D) 8.13 D(E) 8.57 D(F) 9.07 J(A,B) 0.0 J(A,C) 0.8 J(A,D) 0.7 J(A,E) 0.0 J(A,F) 0.0 J(B,C) 5.8 J(B,D) 0.0 J(B,E) 0.0 J(B,F) 0.0 J(C,D) 0.0 J(C,E) 0.0 J(C,F) 0.9 J(D,E) 8.8 J(D,F) 0.8 J(E,F) 2.4 ARMAREGO,W.L.F. & BATTERHAM,T.J. J.CHEM.SOC. B 1966, 750
Hz ppm Int.2886.01 9.620 1000 2723.01 9.077 301 2722.22 9.074 501 2721.38 9.071 362 2720.66 9.069 368 2719.83 9.066 513 2719.03 9.063 311 2666.92 8.890 829 2661.14 8.870 860 2576.74 8.589 410 2574.36 8.581 398 2567.93 8.560 468 2565.56 8.552 454 2443.28 8.144 532 2434.48 8.115 466 2352.67 7.842 304 2351.90 7.840 494 2351.09 7.837 302 2346.87 7.823 293 2346.08 7.820 477 2345.29 7.818 291
