2,3-Pyrazinedicarboxamide(6164-78-9) IR2
Product Name2,3-Pyrazinedicarboxamide
CAS6164-78-9
Molecular FormulaC6H6N4O2
Molecular Weight166.14
InChIInChI=1S/C6H6N4O2/c7-5(11)3-4(6(8)12)10-2-1-9-3/h1-2H,(H2,7,11)(H2,8,12)
InChIKey TZMYZOQDDVSLJU-UHFFFAOYSA-N
SmilesC1(C(N)=O)=NC=CN=C1C(N)=O
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MassMS-NW-6858 2,3-pyrazinedicarboxamide C6H6N4O2 (Mass of molecular ion: 166)
Source Temperature: 200 °C Sample Temperature: 180 °C Direct, 75 eV
16.0 3.7 17.0 3.7 18.0 5.5 25.0 1.1 26.0 16.9 27.0 2.9 28.0 17.9 29.0 1.0 38.0 3.0 39.0 3.2 40.0 3.2 41.0 2.0 42.0 1.0 43.0 2.8 44.0 36.7 45.0 2.3 50.0 2.2 51.0 14.9 52.0 41.5 53.0 40.2 54.0 2.7 66.0 1.0 67.0 1.8 68.0 3.9 69.0 1.6 76.0 1.7 77.0 4.2 78.0 18.5 79.0 26.1 80.0 75.9 81.0 4.1 94.0 1.3 96.0 2.7 105.0 3.0 106.0 8.9 107.0 2.1 122.0 1.6 123.0 100.0 124.0 7.0 148.0 2.2 149.0 9.8 150.0 2.6 166.0 2.6
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H6 N4 O2 0.040 g : 0.5 ml DMSO-d6 2,3-pyrazinedicarboxamide 
Assign. Shift(ppm)
A 8.754 B *1 8.04 C *1 7.68
Hz ppm Int.3498.90 8.755 1000 3213.01 8.040 160 3067.87 7.677 157
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1H NMR 89.56 MHz C6 H6 N4 O2 0.047 g : 0.5 ml DMSO-d6 2,3-pyrazinedicarboxamide Assign. Shift(ppm)
A 8.743 B *1 7.98 C *1 7.64
Hz ppm Int.783.06 8.744 1000 715.06 7.985 66 683.63 7.634 65
in DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
