CINNOLINE(253-66-7) IR1
Molecular FormulaC8H6N2
Molecular Weight130.15
InChIInChI=1S/C8H6N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1-6H
InChIKey WCZVZNOTHYJIEI-UHFFFAOYSA-N
SmilesN1=C2C(C=CC=C2)=CC=N1
parameter in CDCl3
-
1H NMR 300 MHz C8 H6 N2 5 wt% in CDCl3 cinnoline 
Parameter ppm Hz
D(A) 9.294 D(B) 8.184 D(C) 8.006 D(D) 7.857 D(E) 7.949 D(F) 8.440 J(A,B) 5.85 J(A,C) 0.0 J(A,D) 0.0 J(A,E) 0.0 J(A,F) 0.0 J(B,C) -0.40 J(B,D) 0.50 J(B,E) -0.37 J(B,F) 0.88 J(C,D) 8.25 J(C,E) 1.27 J(C,F) 0.86 J(D,E) 6.38 J(D,F) 1.28 J(E,F) 8.57 PAPPALARDO,G.C. ET AL. ORG.MAGN.RESON. 7, 504 (1975)
Hz ppm Int.2791.15 9.304 966 2785.31 9.284 1000 2537.85 8.459 174 2537.01 8.457 327 2536.22 8.454 312 2535.73 8.452 335 2534.90 8.450 183 2529.42 8.431 192 2528.51 8.428 374 2527.29 8.424 382 2526.41 8.421 201 2458.25 8.194 487 2452.40 8.175 471 2406.26 8.021 318 2398.16 7.994 459 2393.03 7.977 193 2391.69 7.972 193 2386.63 7.955 328 2385.08 7.950 295 2383.20 7.944 173 2378.21 7.927 293 2376.84 7.923 232 2364.10 7.880 289 2363.07 7.877 300 2357.68 7.859 202 2356.37 7.855 347 2355.03 7.850 216 2349.61 7.832 136 2348.63 7.829 130
KBr disc
