QUINOXALINE N-OXIDE(6935-29-1) 1H NMR
Product NameQUINOXALINE N-OXIDE
CAS6935-29-1
Molecular FormulaC8H6N2O
Molecular Weight146.15
InChIInChI=1S/C8H6N2O/c11-10-6-5-9-7-3-1-2-4-8(7)10/h1-6H
InChIKey OARGFWQSVACNCO-UHFFFAOYSA-N
Smiles[N+]1([O-])=C2C(C=CC=C2)=NC=C1
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MassMS-KW-0788 quinoxaline 1-oxide C8H6N2O (Mass of molecular ion: 146)
Source Temperature: 140 °C Sample Temperature: 120 °C Direct, 75 eV
28.0 1.5 37.0 1.5 38.0 2.4 39.0 3.9 41.0 2.2 50.0 7.4 51.0 4.6 52.0 3.7 62.0 1.9 63.0 6.3 64.0 11.3 65.0 2.7 73.0 6.2 74.0 2.5 75.0 4.7 76.0 10.1 77.0 1.5 78.0 2.2 89.0 2.1 90.0 7.8 91.0 23.4 92.0 2.5 102.0 11.1 103.0 7.1 117.0 2.8 118.0 10.6 119.0 1.1 120.0 1.5 129.0 5.6 130.0 9.8 145.0 2.5 146.0 100.0 147.0 10.4
parameter in CDCl3
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1H NMR 300 MHz C8 H6 N2 O 0.16 M in CDCl3 quinoxaline 1-oxide 
Parameter ppm Hz
D(A) 8.679 D(B) 8.358 J(A,B) 3.5 D(C) 8.594 D(D) 7.760 D(E) 7.836 D(F) 8.142 J(C,D) 8.75 J(C,E) 1.28 J(C,F) 0.59 J(D,E) 7.06 J(D,F) 1.41 J(E,F) 8.54 LIMBACH,H.-H. ET AL. BER.BUNSENGES.PHYS.CHEM. 74, 966 (1970)
Hz ppm Int.2605.48 8.685 931 2601.99 8.673 1000 2583.51 8.612 325 2583.03 8.610 351 2582.17 8.607 340 2581.53 8.605 310 2574.57 8.582 392 2573.53 8.578 372 2573.05 8.577 351 2509.12 8.364 999 2505.63 8.352 931 2448.01 8.160 301 2447.54 8.158 316 2446.38 8.155 343 2439.70 8.132 341 2439.07 8.130 368 2438.09 8.127 393 2437.61 8.125 369 2359.59 7.865 201 2358.18 7.861 219 2352.54 7.842 375 2351.16 7.837 463 2349.77 7.833 189 2344.21 7.814 336 2342.69 7.809 303 2335.97 7.787 348 2334.35 7.781 360 2328.92 7.763 205 2327.35 7.758 462 2325.85 7.753 324 2320.32 7.734 190 2318.80 7.729 175
KBr disc
nujol mull
