16935-34-5

5-Isopropylhydantoin(16935-34-5) IR2

Product Name5-Isopropylhydantoin

CAS 16935-34-5

Molecular FormulaC6H10N2O2

Molecular Weight142.16

InChIInChI=1S/C6H10N2O2/c1-3(2)4-5(9)8-6(10)7-4/h3-4H,1-2H3,(H2,7,8,9,10)

InChIKey PBNUQCWZHRMSMS-UHFFFAOYSA-N

SmilesC1(=O)NC(C(C)C)C(=O)N1

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5-Isopropylhydantoin(16935-34-5) IR2
Mass

MS-IW-3540          
5-isopropyl-2,4-imidazolidinedione
C6H10N2O2           (Mass of molecular ion:    142)

   Source Temperature: 130 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      27.0       4.1
      28.0       8.9
      29.0       3.8
      39.0       3.2
      41.0       7.9
      42.0       1.4
      43.0      10.7
      44.0       1.9
      45.0       2.3
      55.0       1.3
      56.0       3.8
      57.0       4.5
      70.0       1.2
      72.0       2.4
      82.0       1.4
      99.0       1.2
     100.0     100.0
     101.0       4.4

400 MHz in DMSO-d6

5-Isopropylhydantoin(16935-34-5) IR2

¹H NMR	399.65 MHz
C₆ H₁₀ N₂ O₂	0.038 g : 0.5 ml DMSO-d₆
5-isopropyl-2,4-imidazolidinedione

    Assign.     Shift(ppm)

      A     *1     10.58
      B     *1      7.91
      C             3.908
      D             1.996
      E     *2      0.943
      F     *2      0.802
     
     J(A,C)=1.4HZ
     J(C,D)=3.5HZ

     Hz     ppm     Int.

   4226.53  10.576     70
   3162.38   7.913    181
   1564.64   3.916    248
   1563.26   3.912    258
   1561.13   3.907    260
   1559.75   3.903    255
    806.88   2.019     67
    803.38   2.011     68
    800.02   2.002     95
    796.51   1.994     95
    793.15   1.985     74
    789.64   1.976     73
    786.29   1.968     32
    782.78   1.959     30
    380.25   0.952    916
    373.23   0.934    870
    323.94   0.811   1000
    317.08   0.794    958

in DMSO-d6