2-Pyrazinecarboxylic acid(98-97-5) MS
Product Name2-Pyrazinecarboxylic acid
CAS98-97-5
Molecular FormulaC5H4N2O2
Molecular Weight124.1
InChIInChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)
InChIKey NIPZZXUFJPQHNH-UHFFFAOYSA-N
SmilesC1(C(O)=O)=NC=CN=C1
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MassMS-NW-7161 2-pyrazinecarboxylic acid C5H4N2O2 (Mass of molecular ion: 124)
Source Temperature: 200 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.3 16.0 1.0 17.0 1.1 18.0 4.2 24.0 1.1 25.0 5.2 26.0 45.7 27.0 4.7 28.0 27.5 29.0 2.1 37.0 1.3 38.0 4.8 39.0 5.7 39.5 3.6 40.0 4.2 41.0 2.4 42.0 3.9 44.0 18.4 45.0 10.7 50.0 3.7 51.0 23.0 52.0 68.5 53.0 75.6 54.0 3.7 69.0 1.4 70.0 16.6 76.0 1.0 77.0 2.5 78.0 8.7 79.0 31.4 80.0 100.0 81.0 5.4 106.0 12.1 107.0 3.9 119.0 2.3 124.0 49.3 125.0 3.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C5 H4 N2 O2 0.038 g : 0.5 ml DMSO-d6 2-pyrazinecarboxylic acid 
Assign. Shift(ppm)
A 14. B 9.236 C 8.908 D 8.847
Hz ppm Int.3691.82 9.238 1000 3690.54 9.235 922 3561.47 8.912 833 3559.12 8.906 917 3537.54 8.852 659 3536.26 8.849 708 3535.19 8.846 639 3533.69 8.842 498
DMSO-d6
KBr disc
nujol mull
