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461-72-3

海因(461-72-3)Raman光谱

产品名称:海因

CAS:461-72-3

分子式:C3H4N2O2

分子量: 100.08

InChI:InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)

InChIKey: WJRBRSLFGCUECM-UHFFFAOYSA-N

Smiles:C1(=O)NCC(=O)N1

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    Mass

    MS-NW-0234          
    hydantoin
    C3H4N2O2            (Mass of molecular ion:    100)
    

       Source Temperature: 200 °C
       Sample Temperature:   0 °C
       Direct, 75 eV
    

          14.0       2.3
          16.0       1.6
          18.0       1.4
          26.0       1.2
          27.0      13.4
          28.0     100.0
          29.0      90.7
          30.0       1.9
          38.0       1.2
          40.0       1.5
          41.0       1.0
          42.0       7.3
          43.0      18.2
          44.0      16.7
          54.0       1.6
          55.0       1.9
          56.0       4.1
          57.0      12.6
          70.0       6.8
          72.0      34.7
          73.0       1.1
         100.0      77.6
         101.0       5.0
    

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in D2O

in DMSO-d6

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KBr disc

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nujol mull

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