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Back ChemicalBook Home>CAS DataBase List>99-16-1More Spectrum> ALLANTOIC ACID(99-16-1) MS

ALLANTOIC ACID(99-16-1) MS

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


  • 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
    

KBr disc



nujol mull



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