Allantoic acid(99-16-1) 1H NMR
Product NameAllantoic acid
CAS99-16-1
Molecular FormulaC4H8N4O4
Molecular Weight176.13
InChIInChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)
InChIKey NUCLJNSWZCHRKL-UHFFFAOYSA-N
SmilesC(O)(=O)C(NC(N)=O)NC(N)=O
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MassMS-IW-0990 diureidoacetic acid C4H8N4O4 (H2O) (Mass of molecular ion: 176)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
16.0 8.7 17.0 28.3 18.0 25.1 28.0 4.9 29.0 1.4 42.0 3.6 43.0 17.3 44.0 100.0 45.0 1.5 60.0 65.8 61.0 2.5 66.0 1.0 93.0 2.9
KBr disc
nujol mull
