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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>16935-34-5更多圖譜> 5-異丙基海因(16935-34-5)紅外圖譜(IR1)

16935-34-5

5-異丙基海因(16935-34-5)紅外圖譜(IR1)

產(chǎn)品名稱:5-異丙基海因

CAS:16935-34-5

分子式:C6H10N2O2

分子量: 142.16

InChI:InChI=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

Smiles:C1(=O)NC(C(C)C)C(=O)N1

  • 圖譜
    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

  • 圖譜

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

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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