PYRAZINE-2,3-DICARBOXYLIC ACID MONOAMIDE(67367-37-7) 1H NMR
Product NamePYRAZINE-2,3-DICARBOXYLIC ACID MONOAMIDE
CAS67367-37-7
Molecular FormulaC6H5N3O3
Molecular Weight167.12
InChIInChI=1S/C6H5N3O3/c7-5(10)3-4(6(11)12)9-2-1-8-3/h1-2H,(H2,7,10)(H,11,12)
InChIKey VIBWYIDVHOAVJB-UHFFFAOYSA-N
SmilesC1(C(O)=O)=NC=CN=C1C(N)=O
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MassMS-IW-4870 3-carbamoyl-2-pyrazinecarboxylic acid C6H5N3O3 (Mass of molecular ion: 167)
Source Temperature: 170 °C Sample Temperature: 160 °C Direct, 75 eV
16.0 1.6 17.0 1.7 18.0 3.0 25.0 1.1 26.0 19.3 27.0 1.8 28.0 19.7 29.0 1.0 38.0 2.1 39.0 2.8 40.0 2.7 41.0 2.5 42.0 1.4 43.0 1.6 44.0 48.9 45.0 5.3 50.0 2.0 51.0 16.6 52.0 54.3 53.0 56.8 54.0 3.4 67.0 1.6 68.0 3.6 69.0 1.7 70.0 3.6 77.0 3.7 78.0 29.4 79.0 28.7 80.0 100.0 81.0 5.6 95.0 1.0 96.0 1.4 97.0 1.4 105.0 5.2 106.0 20.0 107.0 2.6 123.0 96.4 124.0 13.2 149.0 11.5 150.0 3.7 168.0 1.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H5 N3 O3 0.038 g : 0.5 ml DMSO-d6 3-carbamoyl-2-pyrazinecarboxylic acid 
Assign. Shift(ppm)
A 13.6 B *1 8.849 C *1 8.812 D *2 8.30 E *2 7.92
Hz ppm Int.5450.01 13.637 62 3543.31 8.867 23 3538.18 8.854 762 3535.62 8.847 994 3530.49 8.834 24 3529.85 8.833 22 3527.71 8.828 31 3523.01 8.816 1000 3520.66 8.810 701 3319.37 8.306 214 3166.58 7.924 213
in DMSO-d6
KBr disc
nujol mull
