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Back ChemicalBook Home>CAS DataBase List>28957-33-7More Spectrum> D-alpha-Amino-epsilon-caprolactam(28957-33-7) IR1

D-alpha-Amino-epsilon-caprolactam(28957-33-7) IR1

Molecular FormulaC6H12N2O

Molecular Weight128.17

InChIInChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)/t5-/m1/s1

InChIKey BOWUOGIPSRVRSJ-RXMQYKEDSA-N

SmilesN1CCCC[C@@H](N)C1=O


  • Mass

    MS-NW-8001          
    D-(+)-alpha-amino-epsilon-caprolactam
    C6H12N2O            (Mass of molecular ion:    128)
    

       Source Temperature: 140 °C
       Sample Temperature:  70 °C
       Direct, 75 eV
    

          15.0       5.5
          17.0       1.5
          18.0       7.7
          26.0       1.8
          27.0      11.7
          28.0      36.1
          29.0      13.9
          30.0      49.8
          31.0       1.1
          38.0       1.0
          39.0       8.3
          40.0       2.0
          41.0      11.5
          42.0      14.4
          43.0      67.2
          44.0      19.3
          45.0       2.6
          53.0       2.0
          54.0       4.6
          55.0       5.4
          56.0     100.0
          57.0      17.8
          58.0       7.9
          59.0       1.2
          66.0       1.1
          67.0       1.9
          68.0       3.0
          69.0       1.8
          70.0      13.8
          71.0      18.3
          72.0      25.7
          73.0       1.5
          81.0       2.3
          82.0      28.5
          83.0      56.3
          84.0      10.2
          85.0       1.3
          99.0       7.9
         100.0       5.3
         110.0       5.5
         111.0       9.5
         128.0       8.2
         129.0       3.2
    

1HNMR_1

1HNMR_2





KBr disc



nujol mull



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