923-37-5

Carbamoyl-DL-aspartic acid(923-37-5) IR2

Product NameCarbamoyl-DL-aspartic acid

CAS 923-37-5

Molecular FormulaC5H8N2O5

Molecular Weight176.13

InChIInChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)/t2-/m0/s1

InChIKey HLKXYZVTANABHZ-REOHCLBHSA-N

SmilesC(O)(=O)[C@H](CC(O)=O)NC(N)=O

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¹HNMR

IR1

IR2

Carbamoyl-DL-aspartic acid(923-37-5) IR2
Mass

MS-NW-1894          
N-carbamoyl-DL-aspartic acid
C5H8N2O5            (Mass of molecular ion:    176)

   Source Temperature: 210 °C
   Sample Temperature: 240 °C
   Direct, 75 eV

      14.0       2.0
      15.0       6.9
      16.0       4.5
      17.0       5.3
      18.0      20.9
      26.0       3.7
      27.0       9.1
      28.0      32.1
      29.0       3.4
      31.0       1.1
      39.0       1.9
      40.0       6.5
      41.0      16.7
      42.0      26.9
      43.0      20.3
      44.0      36.1
      45.0       8.6
      53.0       1.2
      54.0       1.3
      55.0       3.1
      56.0       2.7
      57.0       1.6
      60.0      60.6
      61.0       1.6
      68.0       3.0
      69.0       8.1
      70.0       8.9
      71.0       1.9
      84.0       1.4
      86.0       1.8
      87.0      10.1
      88.0       3.6
      96.0       2.3
      99.0      14.1
     112.0     100.0
     113.0      14.8
     114.0       1.4
     140.0      13.3
     141.0       1.6
     158.0       2.5