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网站主页CAS数据库列表 21568-87-6更多图谱(S)-3-氨基-2-氮杂环庚烷酮(21568-87-6)红外图谱(IR2)

(S)-3-氨基-2-氮杂环庚烷酮

产品名称 (S)-3-氨基-2-氮杂环庚烷酮

CAS号21568-87-6

分子式C6H12N2O

分子量128.17

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  • Mass

    MS-NW-7705          
    L-alpha-amino-epsilon-caprolactam
    C6H12N2O            (Mass of molecular ion:    128)
    

       Source Temperature: 270 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       3.1
          17.0       1.6
          18.0       7.1
          26.0       1.8
          27.0       9.3
          28.0      26.7
          29.0      10.4
          30.0      38.9
          38.0       1.1
          39.0       7.3
          40.0       1.8
          41.0      11.2
          42.0      12.8
          43.0      60.6
          44.0      16.2
          45.0       2.2
          51.0       1.1
          52.0       1.2
          53.0       2.1
          54.0       4.7
          55.0       5.6
          56.0     100.0
          57.0      16.9
          58.0       6.5
          59.0       1.5
          66.0       1.3
          67.0       2.0
          68.0       3.0
          69.0       1.9
          70.0      19.0
          71.0      14.8
          72.0      23.2
          73.0       1.4
          81.0       3.7
          82.0      26.2
          83.0      70.1
          84.0      10.2
          85.0       1.4
          98.0       1.0
          99.0      13.9
         100.0       5.9
         110.0       8.5
         111.0      18.0
         112.0       1.5
         128.0       3.5
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C6 H12 N2 O 0.045 g : 0.5 ml DMSO-d6
    L-alpha-amino-epsilon-caprolactam
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.60 B 3.424 C 3.07 D *1 1.831 E *2 1.69 F *3 1.66 G *1 1.59 J *3 1.319 K *2 1.170 ASSIGNED BY H-H AND C-H COSY. THE H2O PEAK ABOUT 3.0 PPM REMOVED.

         Hz     ppm     Int.
    

       3036.38   7.598    435
       1373.78   3.438    692
       1363.40   3.412    705
       1363.16   3.411    705
        741.94   1.857    367
        738.65   1.849    515
        735.11   1.840    444
        729.25   1.825    467
        725.46   1.816    653
        721.68   1.806    512
        718.38   1.798    250
        685.06   1.715    536
        683.23   1.710    510
        681.88   1.707    538
        681.40   1.705    538
        678.83   1.699    475
        675.05   1.690    674
        671.14   1.680   1000
        668.46   1.673    901
        663.57   1.661    592
        663.09   1.660    597
        662.48   1.658    597
        661.87   1.657    594
        661.01   1.654    586
        660.52   1.653    594
        656.01   1.642    785
        655.64   1.641    787
        649.05   1.625    250
        648.56   1.623    242
        648.07   1.622    235
        644.41   1.613    508
        640.87   1.604    598
        637.57   1.596    343
        634.77   1.589    206
        631.23   1.580    430
        627.81   1.571    570
        625.00   1.564    332
        618.41   1.548    212
        614.75   1.539    274
        545.41   1.365    344
        542.36   1.358    274
        534.18   1.337    474
        532.23   1.332    613
        529.91   1.326    532
        521.24   1.305    506
        519.04   1.299    593
        508.42   1.273    261
        483.15   1.209    275
        480.10   1.202    205
        472.41   1.183    482
        471.56   1.180    473
        471.19   1.180    472
        469.12   1.174    464
        465.82   1.166    251
        464.48   1.163    225
        459.84   1.151    469
        456.79   1.143    406
    

in DMSO-d6



KBr disc



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