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3-Nitroquinoline(17576-53-3) 1H NMR
Product Name3-Nitroquinoline
CAS17576-53-3
Molecular FormulaC9H6N2O2
Molecular Weight174.16
InChIInChI=1S/C9H6N2O2/c12-11(13)8-5-7-3-1-2-4-9(7)10-6-8/h1-6H
InChIKey ZXVRNZRQQRBDLX-UHFFFAOYSA-N
SmilesN1C2C(=CC=CC=2)C=C([N+]([O-])=O)C=1
parameter in acetone
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1H NMR 300 MHz C9 H6 N2 O2 0.050 g : 1 ml acetone 3-nitroquinoline 
Parameter ppm Hz
D(A) 9.564 D(B) 9.236 D(C) 8.283 D(D) 7.811 D(E) 8.018 D(F) 8.201 J(A,B) 2.7 J(A,C) 0.0 J(A,D) 0.0 J(A,E) 0.0 J(A,F) 0.0 J(B,C) 0.0 J(B,D) 0.0 J(B,E) 0.0 J(B,F) 0.5 J(C,D) 8.26 J(C,E) 1.33 J(C,F) 0.56 J(D,E) 6.85 J(D,F) 1.09 J(E,F) 8.63 BLACK,P.J. & HEFFERNAN,M.L. AUST.J.CHEM. 17, 558 (1964)
Hz ppm Int.2870.57 9.569 949 2867.88 9.560 1000 2771.99 9.240 711 2769.59 9.232 674 2489.57 8.299 355 2488.74 8.296 355 2488.26 8.294 333 2481.35 8.271 401 2480.51 8.268 400 2480.05 8.267 379 2465.47 8.218 322 2464.95 8.216 346 2464.44 8.215 328 2456.86 8.190 439 2456.33 8.188 474 2455.83 8.186 446 2413.64 8.045 273 2412.30 8.041 271 2406.81 8.023 344 2405.42 8.018 404 2403.69 8.012 207 2398.20 7.994 255 2396.86 7.990 242 2351.09 7.837 314 2349.96 7.833 311 2344.25 7.814 273 2342.98 7.810 462 2341.74 7.806 293 2336.03 7.787 227 2334.92 7.783 222