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16935-34-5

5-异丙基海因(16935-34-5)红外图谱(IR2)

产品名称:5-异丙基海因

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

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    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

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    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

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KBr disc

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nujol mull

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