97-59-6

Allantoin(97-59-6) IR1

Product NameAllantoin

CAS 97-59-6

Molecular FormulaC4H6N4O3

Molecular Weight158.12

InChIInChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)

InChIKey POJWUDADGALRAB-UHFFFAOYSA-N

SmilesN(C1C(=O)NC(=O)N1)C(N)=O

Request For Quotation

¹HNMR

IR1

IR2

Allantoin(97-59-6) IR1
Mass

MS-NW-4914          
5-ureido-2,4-imidazolidinedione
C4H6N4O3            (Mass of molecular ion:    158)

   Source Temperature: 210 °C
   Sample Temperature: 250 °C
   Direct, 75 eV

      12.0       1.6
      13.0       1.7
      14.0       1.3
      15.0       4.0
      16.0      23.6
      17.0     100.0
      18.0      23.2
      26.0       2.0
      27.0      13.3
      28.0      58.2
      29.0      12.7
      30.0       1.1
      31.0       1.7
      41.0       3.1
      42.0      12.8
      43.0      67.0
      44.0      84.9
      45.0       6.1
      54.0       1.5
      55.0      11.9
      56.0       1.6
      57.0       1.4
      59.0       1.1
      60.0      50.5
      61.0       1.1
      69.0       1.4
      70.0      13.0
      71.0       4.5
      72.0       1.5
      86.0       1.1
      87.0      69.3
      88.0       2.1
      98.0       7.8
      99.0       3.6
     100.0       1.6
     103.0       1.1
     113.0       5.0
     114.0       8.8
     115.0      18.6
     116.0       1.2
     129.0       1.4
     130.0      40.8
     131.0       2.4
     140.0       1.7
     141.0       5.4
     142.0       1.0
     158.0       4.1