Product NameIsonicotinamide
CAS1453-82-3
Molecular FormulaC6H6N2O
Molecular Weight122.12
InChIInChI=1S/C6H6N2O/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)
InChIKey VFQXVTODMYMSMJ-UHFFFAOYSA-N
SmilesC1=NC=CC(C(N)=O)=C1
Mass
MS-NW-4782 isonicotinamide C6H6N2O (Mass of molecular ion: 122)
Source Temperature: 120 °C Sample Temperature: 110 °C Direct, 75 eV
26.0 1.9 28.0 3.0 37.0 1.2 38.0 1.5 39.0 2.8 44.0 12.8 49.0 2.0 50.0 14.2 51.0 35.9 52.0 15.3 53.0 1.9 75.0 1.2 76.0 1.6 77.0 2.3 78.0 55.8 79.0 12.4 105.0 1.2 106.0 40.0 107.0 2.6 122.0 100.0 123.0 7.5
KBr disc
nujol mull
Isonicotinamide(1453-82-3) IR1 Atlas of Related Products