Back ChemicalBook Home>CAS DataBase List>35359-25-2More Spectrum> 5-Methyl-s-triazolo[4,3-a]quinoline(35359-25-2) 1H NMR
5-Methyl-s-triazolo[4,3-a]quinoline(35359-25-2) 1H NMR
Product Name5-Methyl-s-triazolo[4,3-a]quinoline
CAS35359-25-2
Molecular FormulaC11H9N3
Molecular Weight183.21
InChIInChI=1S/C11H9N3/c1-8-6-11-13-12-7-14(11)10-5-3-2-4-9(8)10/h2-7H,1H3
InChIKey FTNVDGUZYLOBSQ-UHFFFAOYSA-N
SmilesN12C=NN=C1C=C(C)C1=C2C=CC=C1
parameter in CDCl3
parameter in DMSO-d6
-
1H NMR 300 MHz C11 H9 N3 5 wt% in CDCl3 at 50C 5-methyl-S-triazolo(4,3-a)quinoline 
Parameter ppm Hz
D(A) 9.170 D(B) 7.464 D(C) 7.898 D(D) 7.551 D(E) 7.670 D(F) 7.952 D(G) 2.600 J(A,B) 0.7 J(A,C) 0.0 J(A,D) 0.0 J(A,E) 0.0 J(A,F) 0.0 J(A,G) 0.0 J(B,C) 0.34 J(B,D) 0.0 J(B,E) 0.27 J(B,F) 0.0 J(B,G) 1.25 J(C,D) 8.20 J(C,E) 1.36 J(C,F) 0.52 J(C,G) 0.0 J(D,E) 7.33 J(D,F) 1.16 J(D,G) 0.0 J(E,F) 8.31 J(E,G) 0.0 J(F,G) 0.0 HEFFERNAN,M.L. & IRVINE,G.M. AUST.J.CHEM. 29, 815 (1976)
Hz ppm Int.2751.35 9.171 386 2750.74 9.169 387 2390.33 7.968 114 2389.54 7.965 117 2382.08 7.940 142 2381.35 7.938 140 2374.38 7.915 109 2372.98 7.910 110 2366.20 7.887 129 2364.79 7.883 129 2309.68 7.699 68 2308.28 7.694 69 2302.35 7.674 111 2301.07 7.670 119 2300.09 7.667 72 2294.16 7.647 84 2292.70 7.642 77 2273.09 7.577 111 2271.93 7.573 111 2265.75 7.552 93 2264.90 7.550 135 2263.80 7.546 107 2257.63 7.525 65 2256.47 7.522 63 2239.30 7.464 191 780.63 2.602 1000 779.41 2.598 999
-
1H NMR 300 MHz C11 H9 N3 5 wt% in DMSO-d6 at 80C 5-methyl-S-triazolo(4,3-a)quinoline Parameter ppm Hz
D(A) 9.753 D(B) 7.503 D(C) 7.983 D(D) 7.607 D(E) 7.747 D(F) 8.352 D(G) 2.590 J(A,B) 0.72 J(A,C) 0.0 J(A,D) 0.0 J(A,E) 0.0 J(A,F) 0.0 J(A,G) 0.0 J(B,C) 0.37 J(B,D) 0.0 J(B,E) 0.30 J(B,F) 0.0 J(B,G) 1.27 J(C,D) 8.16 J(C,E) 1.37 J(C,F) 0.47 J(C,G) 0.0 J(D,E) 7.31 J(D,F) 1.13 J(D,G) 0.0 J(E,F) 8.36 J(E,G) 0.0 J(F,G) 0.0 HEFFERNAN,M.L. & IRVINE,G.M. AUST.J.CHEM. 29, 815 (1976)
Hz ppm Int.2926.09 9.754 411 2925.76 9.753 411 2510.29 8.368 141 2509.43 8.365 142 2501.88 8.340 154 2501.21 8.337 158 2399.80 7.999 123 2398.54 7.995 127 2391.71 7.972 144 2390.39 7.968 145 2332.85 7.776 68 2331.46 7.772 69 2325.43 7.751 110 2324.30 7.748 140 2317.21 7.724 89 2315.88 7.720 83 2289.90 7.633 108 2288.77 7.629 109 2281.68 7.606 153 2280.75 7.602 117 2274.52 7.582 68 2273.39 7.578 66 2250.92 7.503 221 777.63 2.592 1000 776.43 2.588 999