Pyrazinamide(98-96-4) 13C NMR
Product NamePyrazinamide
CAS98-96-4
Molecular FormulaC5H5N3O
Molecular Weight123.11
InChIInChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)
InChIKey IPEHBUMCGVEMRF-UHFFFAOYSA-N
SmilesC1(C(N)=O)=NC=CN=C1
-
MassMS-NW-0264 pyrazinecarboxamide C5H5N3O (Mass of molecular ion: 123)
Source Temperature: 170 °C Sample Temperature: 0 °C Direct, 75 eV
25.0 1.5 26.0 15.2 27.0 1.4 28.0 12.4 38.0 1.4 39.0 1.8 40.0 1.9 41.0 1.7 43.0 1.1 44.0 17.8 51.0 9.2 52.0 32.1 53.0 50.9 54.0 2.2 69.0 1.1 78.0 1.8 79.0 17.8 80.0 80.3 81.0 4.2 123.0 100.0 124.0 6.9
KBr disc
nujol mull
