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1118-12-3

叔丁脲(1118-12-3)质谱(MS)

产品名称:叔丁脲

CAS:1118-12-3

分子式:C5H12N2O

分子量: 116.16

InChI:InChI=1S/C5H12N2O/c1-5(2,3)7-4(6)8/h1-3H3,(H3,6,7,8)

InChIKey: JLEHSYHLHLHPAL-UHFFFAOYSA-N

Smiles:N(C(C)(C)C)C(N)=O

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    Mass

    MS-IW-6830          
    tert-butylurea
    C5H12N2O            (Mass of molecular ion:    116)
    

       Source Temperature: 140 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          15.0       2.3
          17.0       1.0
          18.0       7.7
          27.0       2.8
          28.0       3.2
          29.0       5.8
          30.0       3.2
          39.0       4.4
          40.0       1.1
          41.0      17.0
          42.0      10.9
          43.0       6.0
          44.0       6.5
          50.0       1.7
          50.5       1.7
          55.0       3.0
          56.0       5.8
          57.0      12.6
          58.0     100.0
          59.0       5.0
          61.0      10.3
          72.0       1.1
          83.0       1.0
          84.0       1.7
         101.0      62.0
         102.0       3.2
         116.0       8.2
         117.0       1.1
    

KBr disc

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nujol mull

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