PHENYLTHIOHYDANTOIN-ASPARTIC ACID(5624-13-5) IR1

Product NamePHENYLTHIOHYDANTOIN-ASPARTIC ACID

CAS 5624-13-5

Molecular FormulaC11H10N2O3S

Molecular Weight250.27

InChIInChI=1S/C11H10N2O3S/c14-9(15)6-8-10(16)13(11(17)12-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,17)(H,14,15)

InChIKey NFUCNAREVSTFNC-UHFFFAOYSA-N

SmilesC1(=S)N(C2=CC=CC=C2)C(=O)C(CC(O)=O)N1

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IR1

IR2

Mass

MS-NW-2040          
1-phenyl-5-oxo-2-thioxo-4-imidazolidineacetic acid
C11H10N2O3S         (Mass of molecular ion:    250)

   Source Temperature: 200 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      15.0       1.7
      17.0       1.9
      18.0      10.8
      26.0       3.2
      27.0       9.8
      28.0       7.6
      29.0       1.0
      32.0       4.0
      33.0       1.3
      34.0       3.5
      37.0       1.3
      38.0       2.7
      39.0       6.2
      40.0       2.1
      41.0      10.0
      42.0       4.3
      43.0       3.6
      44.0      19.3
      45.0       4.5
      50.0       5.7
      51.0      20.4
      52.0       3.2
      53.0       1.6
      54.0       2.9
      55.0       7.8
      57.0       1.3
      58.0       2.6
      59.0      11.8
      60.0       4.9
      61.0       1.0
      62.0       1.2
      63.0       4.1
      64.0       5.3
      65.0       5.1
      66.0       2.0
      67.5       1.0
      69.0       1.5
      70.0       6.2
      71.0       2.0
      72.0       1.1
      73.0       1.2
      74.0       2.0
      75.0       2.0
      76.0       4.2
      77.0      62.3
      78.0       6.2
      83.0       1.8
      84.0       6.6
      85.0      29.9
      86.0       6.6
      87.0       3.1
      88.0       3.8
      89.0       1.1
      90.0       2.3
      91.0       8.2
      92.0       6.2
      93.0      14.3
      94.0       1.5
      95.0       1.7
     102.0       4.4
     103.0       8.0
     104.0      24.0
     105.0       6.2
     106.0       2.2
     107.0       2.2
     108.0       2.0
     109.0       5.0
     110.0       1.1
     111.0       2.0
     112.0       2.7
     117.0       4.6
     118.0       3.9
     119.0      12.1
     120.0      14.2
     121.0       1.4
     128.0       1.6
     129.0       2.3
     131.0       5.5
     132.0       1.0
     134.0       1.9
     135.0      58.6
     136.0      23.5
     137.0       4.7
     138.0       1.3
     144.0       1.3
     145.0       3.6
     146.0       4.9
     147.0       3.0
     148.0       2.9
     149.0       1.1
     150.0       1.2
     151.0       1.0
     161.0       1.4
     162.0       1.3
     163.0       1.0
     164.0       2.2
     171.0       1.6
     172.0       4.7
     173.0       7.2
     174.0       6.9
     175.0       6.6
     176.0       1.3
     177.0       6.6
     178.0       1.0
     189.0       1.1
     191.0       2.8
     192.0       1.6
     202.0       1.1
     203.0      24.4
     204.0      54.2
     205.0      17.9
     206.0       7.2
     207.0       1.4
     217.0       1.1
     221.0       4.4
     230.0       2.5
     232.0       2.1
     233.0       1.0
     248.0       4.4
     249.0      10.0
     250.0     100.0
     251.0      14.0
     252.0       6.0
     278.0       3.6

KBr disc

nujol mull

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