ALLYL ISOPROPYL ACETYLUREA(528-92-7) IR1

Product NameALLYL ISOPROPYL ACETYLUREA

CAS 528-92-7

Molecular FormulaC9H16N2O2

Molecular Weight184.24

InChIInChI=1S/C9H16N2O2/c1-4-5-7(6(2)3)8(12)11-9(10)13/h4,6-7H,1,5H2,2-3H3,(H3,10,11,12,13)

InChIKey KSUUMAWCGDNLFK-UHFFFAOYSA-N

SmilesC(NC(N)=O)(=O)C(C(C)C)CC=C

Request For Quotation

Mass

MS-IW-3260          
(2-isopropyl-4-pentenoyl)urea
C9H16N2O2           (Mass of molecular ion:    184)

   Source Temperature: 190 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       3.7
      27.0      13.6
      28.0       4.8
      29.0       9.0
      30.0       1.9
      39.0      19.7
      40.0       2.6
      41.0      40.5
      42.0       4.8
      43.0      25.3
      44.0      58.9
      45.0       1.6
      51.0       2.5
      52.0       1.8
      53.0      13.4
      54.0      11.9
      55.0      81.2
      56.0      24.8
      57.0       6.0
      58.0       3.8
      59.0       1.7
      60.0       2.5
      61.0      50.0
      62.0       1.0
      65.0       1.4
      67.0       6.3
      68.0       3.5
      69.0      14.5
      70.0       4.8
      71.0       1.3
      72.0       3.6
      73.0       2.1
      77.0       1.8
      79.0       3.6
      80.0       3.1
      81.0      69.5
      82.0      45.1
      83.0      25.9
      84.0       3.7
      85.0       1.0
      86.0      11.7
      87.0       4.6
      95.0       2.4
      96.0      16.5
      97.0       9.4
      98.0      38.3
      99.0      32.6
     100.0       5.6
     101.0      11.3
     102.0       2.9
     109.0      13.6
     110.0       1.3
     114.0      15.0
     115.0       2.2
     123.0       1.6
     124.0      27.3
     125.0       3.8
     126.0      11.8
     127.0       1.8
     129.0       2.9
     141.0      93.3
     142.0     100.0
     143.0      15.2
     144.0       1.5
     156.0       1.4
     169.0      11.4
     170.0       1.1
     184.0       6.6
     185.0       1.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₁₆ N₂ O₂	0.045 g : 0.5 ml DMSO-d₆
(2-isopropyl-4-pentenoyl)urea

    Assign.     Shift(ppm)

      A     *1     10.14
      B     *1      7.86
      C     *1      7.21
      D             5.687
      E             5.025
      F             4.969
      G             2.30
      J          2.24 to 2.20
      K             1.763
      L     *2      0.892
      M     *2      0.866
     
     J(D,E)=17.1HZ
     J(D,F)=10.2HZ
     J(D,J)=6.7HZ

     Hz     ppm     Int.

   4052.89  10.142    158
   3139.95   7.857     89
   2882.23   7.212    106
   2294.16   5.741     42
   2287.45   5.724     88
   2283.94   5.715     52
   2280.73   5.707     47
   2277.07   5.698    140
   2270.36   5.681    146
   2266.69   5.672     59
   2263.49   5.664     55
   2260.13   5.656    108
   2253.42   5.639     50
   2017.06   5.048    156
   2015.08   5.043    190
   2013.55   5.039     88
   2001.19   5.008     60
   1999.82   5.004    142
   1997.83   4.999    175
   1996.46   4.996     80
   1992.03   4.985    189
   1990.81   4.982    156
   1989.90   4.980    170
   1981.81   4.959    177
   1980.74   4.957    147
   1979.68   4.954    161
    924.07   2.313     68
    917.66   2.297     93
    910.49   2.279     66
    907.59   2.271     53
    900.57   2.254     38
    893.86   2.237    115
    889.43   2.226    117
    886.69   2.219    188
    885.47   2.216    211
    883.94   2.212    199
    878.60   2.199    134
    877.53   2.196    139
    715.18   1.790     76
    708.47   1.773    129
    701.60   1.756    131
    694.73   1.739     81
    360.11   0.902    958
    353.39   0.885    948
    349.58   0.875   1000
    342.86   0.858    941

in DMSO-d6