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616-04-6

甲酰乙内脲(616-04-6)Raman光谱

产品名称:甲酰乙内脲

CAS:616-04-6

分子式:C4H6N2O2

分子量: 114.1

InChI:InChI=1S/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8)

InChIKey: RHYBFKMFHLPQPH-UHFFFAOYSA-N

Smiles:C1(=O)N(C)CC(=O)N1

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    Mass

    MS-KW-0505          
    1-methyl-2,4-imidazolidinedione
    C4H6N2O2            (Mass of molecular ion:    114)
    

       Source Temperature: 150 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          15.0       3.9
          18.0       1.1
          28.0       4.6
          29.0       1.1
          30.0       3.6
          40.0       1.8
          41.0       3.8
          42.0      40.7
          43.0      36.8
          44.0       2.0
          56.0       1.3
          70.0       3.8
          71.0       5.0
          86.0       7.7
         114.0     100.0
         115.0       5.6
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C4 H6 N2 O2 0.042 g : 0.5 ml DMSO-d6
    1-methyl-2,4-imidazolidinedione
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.7 B 3.904 C 2.787

         Hz     ppm     Int.
    

       4273.64  10.694     33
       1560.40   3.905    628
       1114.39   2.789   1000
    

in D2O

in DMSO-d6

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KBr disc

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4880 A,200 M,powder

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