PHENYLTHIOHYDANTOIN-ASPARTIC ACID(5624-08-8) IR2

Product NamePHENYLTHIOHYDANTOIN-ASPARTIC ACID

CAS 5624-08-8

Molecular FormulaC11H11N3O2S

Molecular Weight249.29

InChIInChI=1S/C11H11N3O2S/c12-9(15)6-8-10(16)14(11(17)13-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,12,15)(H,13,17)

InChIKey ZQGVIKNSDQBZSS-UHFFFAOYSA-N

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

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IR1

IR2

Mass

MS-NW-2046          
5-carbamoylmethyl-3-phenyl-2-thioxo-4-imidazolidone
C11H11N3O2S         (Mass of molecular ion:    249)

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

      15.0       1.8
      16.0       1.4
      17.0       2.5
      18.0      12.7
      26.0       4.6
      27.0      11.6
      28.0      17.4
      32.0       4.6
      33.0       1.9
      34.0       6.5
      37.0       1.7
      38.0       3.6
      39.0       8.7
      40.0       2.9
      41.0       6.4
      42.0       9.1
      43.0       6.4
      44.0      13.8
      45.0       2.2
      50.0       6.5
      51.0      23.2
      52.0       4.6
      53.0       2.3
      54.0       3.9
      55.0       6.3
      58.0       2.8
      59.0       9.6
      60.0       4.8
      61.0       1.4
      62.0       1.3
      63.0       5.0
      64.0       6.6
      65.0       9.2
      66.0       5.6
      67.0       1.3
      68.0       3.6
      69.0       1.9
      70.0       6.3
      72.0       5.1
      74.0       2.3
      75.0       2.1
      76.0       4.4
      77.0      67.1
      78.0       6.5
      80.0       1.4
      83.0       5.8
      84.0      10.3
      85.0      18.6
      86.0      11.3
      87.0       2.2
      88.0       1.1
      90.0       2.0
      91.0      15.6
      92.0       6.4
      93.0      43.4
      94.0       4.9
      95.0       1.4
      97.0       2.9
      98.0       2.6
     100.0       2.5
     102.0       1.1
     103.0       5.3
     104.0      20.3
     105.0       3.1
     106.0       1.3
     107.0       1.2
     108.0       2.0
     109.0       5.4
     110.0       1.9
     111.0       6.9
     112.0      14.5
     113.0       2.0
     114.0       1.1
     117.0      10.5
     118.0       8.8
     119.0      11.8
     120.0       6.5
     128.0       3.4
     129.0       3.2
     130.0       6.2
     132.0       1.1
     134.0       1.5
     135.0      49.7
     136.0      19.1
     137.0       3.6
     138.0       1.0
     142.0       1.1
     143.0       1.1
     144.0       6.5
     145.0       4.0
     146.0       7.6
     147.0       3.0
     148.0       3.2
     150.0       1.0
     151.0       1.8
     152.0       1.2
     156.0       3.8
     161.0       1.2
     171.0       2.5
     172.0       3.9
     173.0       7.6
     174.0       3.6
     175.0       2.8
     177.0       3.2
     187.0       4.5
     197.0       1.4
     200.0       1.3
     202.0       3.7
     203.0      22.4
     204.0      38.5
     205.0      47.0
     206.0       7.3
     207.0       2.3
     215.0      11.6
     216.0       1.8
     217.0       2.7
     228.0       3.6
     229.0       9.2
     230.0      11.7
     231.0       9.4
     232.0       7.6
     233.0       1.4
     246.0       1.4
     247.0      19.1
     248.0       3.4
     249.0     100.0
     250.0      13.7
     251.0       5.6

KBr disc

nujol mull

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