2-羥基喹喔啉(1196-57-2)紅外圖譜(IR2)
InChI:InChI=1S/C8H6N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,10,11)
InChIKey: FFRYUAVNPBUEIC-UHFFFAOYSA-N
Smiles:N1C2=C(C=CC=C2)N=CC1=O
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Mass
MS-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
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| 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
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| 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