2-Quinoxalinone(1196-57-2) IR1
Product Name2-Quinoxalinone
CAS1196-57-2
Molecular FormulaC8H6N2O
Molecular Weight146.15
InChIInChI=1S/C8H6N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,10,11)
InChIKey FFRYUAVNPBUEIC-UHFFFAOYSA-N
SmilesN1C2=C(C=CC=C2)N=CC1=O
-
MassMS-NW-8283 2(1H)-quinoxalinone C8H6N2O (Mass of molecular ion: 146)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
17.0 3.0 18.0 14.4 26.0 1.1 27.0 1.7 28.0 5.4 37.0 5.5 38.0 9.0 39.0 10.1 40.0 2.4 41.0 4.8 44.0 1.7 45.0 3.1 50.0 8.3 51.0 5.0 52.0 9.0 59.0 6.3 61.0 3.0 62.0 6.6 63.0 22.7 64.0 24.3 65.0 5.9 74.0 2.3 75.0 2.8 76.0 5.2 77.0 1.2 78.0 1.7 88.0 1.3 89.0 1.2 90.0 13.8 91.0 46.3 92.0 4.6 117.0 4.3 118.0 100.0 119.0 9.0 145.0 1.0 146.0 87.2 147.0 8.6
400 MHz in DMSO-d6
90 MHz in DMSO-d6
-
1H NMR 399.65 MHz C8 H6 N2 O 0.043 g : 0.5 ml DMSO-d6 2(1H)-quinoxalinone 
Assign. Shift(ppm)
A 12.47 B 8.209 C 7.799 D 7.575 E 7.35 F 7.33
Hz ppm Int.4982.68 12.468 121 3281.06 8.210 1000 3121.52 7.811 279 3120.24 7.808 335 3113.46 7.791 300 3112.37 7.788 353 3036.35 7.598 144 3034.89 7.594 171 3027.74 7.576 326 3026.83 7.574 273 3020.78 7.559 197 3019.50 7.556 222 2940.74 7.359 436 2936.34 7.348 287 2934.88 7.344 260 2933.41 7.340 333 2932.50 7.338 384 2929.02 7.329 304 2928.28 7.328 346 2927.00 7.324 288 2921.14 7.310 181 2919.86 7.307 179
-
1H NMR 89.56 MHz C8 H6 N2 O 0.036 g : 0.5 ml DMSO-d6 2(1H)-quinoxalinone Assign. Shift(ppm)
A 12.4 B 8.197 C 7.790 D 7.562 E 7.35 F 7.31 E AND F WERE CONFIRMED BY LAOCN PROGRAM.
Hz ppm Int.1114.60 12.446 86 739.05 8.253 40 734.18 8.198 1000 730.33 8.155 41 729.91 8.150 40 729.14 8.142 41 703.59 7.857 169 701.45 7.833 224 697.44 7.788 96 694.79 7.758 269 693.76 7.747 324 691.03 7.716 42 689.49 7.699 39 687.61 7.678 90 685.90 7.659 91 684.19 7.640 40 682.57 7.622 65 679.49 7.587 180 677.61 7.566 210 675.82 7.547 53 672.57 7.510 308 670.95 7.492 248 668.73 7.467 46 668.30 7.463 45 667.27 7.451 41 662.06 7.393 586 661.12 7.382 548 659.75 7.367 368 656.08 7.326 255 654.97 7.314 315 653.26 7.295 309 651.98 7.280 200 648.22 7.238 138 646.51 7.219 116
in DMSO-d6
KBr disc
nujol mull
