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Back ChemicalBook Home>CAS DataBase List>99-16-1More Spectrum> Allantoic acid(99-16-1) IR1

99-16-1

Allantoic acid(99-16-1) IR1

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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MS

1HNMR

IR1

IR2

  • Allantoic acid(99-16-1) IR1
    Mass 

    MS-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

  • Allantoic acid(99-16-1) IR1

KBr disc

  • Allantoic acid(99-16-1) IR1

nujol mull

  • Allantoic acid(99-16-1) IR1

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