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返回ChemicalBook首页>CAS数据库列表>104372-31-8更多图谱> (1R)-(-)-10-樟脑磺哑嗪(104372-31-8)质谱(MS)

104372-31-8

(1R)-(-)-10-樟脑磺哑嗪(104372-31-8)质谱(MS)

分子式:C10H15NO3S

分子量: 229.3

InChI:InChI=1/C10H15NO3S/c1-8(2)7-3-4-9(8)6-15(12,13)11-10(9,5-7)14-11/h7H,3-6H2,1-2H3/t7-,9-,10?,11?/s3

InChIKey: GBBJBUGPGFNISJ-SENRVMEJNA-N

Smiles:C123C[C@@]4([H])CC[C@@]1(CS(=O)(=O)N2O3)C4(C)C |&1:2,6,r|

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    Mass

    MS-IW-4931          
    (-)-(2S,8aR)-(camphorsulfonyl)oxaziridine
    C10H15NO3S          (Mass of molecular ion:    229)
    

       Source Temperature: 140 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          15.0       1.4
          18.0       3.7
          26.0       1.2
          27.0      21.9
          28.0       7.0
          29.0      13.5
          30.0       2.6
          32.0       1.0
          38.0       1.8
          39.0      37.8
          40.0       9.1
          41.0      66.9
          42.0      14.6
          43.0      38.4
          44.0       2.7
          48.0       7.3
          50.0       2.9
          51.0      10.2
          52.0       6.4
          53.0      28.9
          54.0      13.1
          55.0      39.6
          56.0       6.6
          57.0      11.2
          58.0       1.8
          59.0       3.6
          63.0       3.3
          64.0      13.5
          65.0      14.6
          66.0       8.2
          67.0      64.9
          68.0      15.5
          69.0      37.5
          70.0       8.0
          71.0       1.3
          73.0       1.0
          77.0      30.0
          78.0       7.3
          79.0      44.2
          80.0      17.4
          81.0      31.2
          82.0      35.6
          83.0       8.2
          84.0       2.2
          85.0       1.2
          91.0      37.6
          92.0       9.0
          93.0      92.5
          94.0      36.4
          95.0      18.1
          96.0       6.2
          97.0      11.0
          98.0       1.1
         103.0       1.9
         104.0       3.7
         105.0      15.4
         106.0      18.5
         107.0      43.1
         108.0     100.0
         109.0      56.4
         110.0       7.7
         111.0       1.6
         117.0       3.1
         118.0       2.5
         119.0       6.0
         120.0       9.8
         121.0       7.4
         122.0      59.2
         123.0      20.6
         124.0       4.9
         131.0       2.3
         132.0       6.4
         133.0       5.5
         134.0      34.5
         135.0      14.2
         136.0       8.3
         137.0       6.1
         138.0       1.8
         146.0       2.8
         147.0       2.4
         148.0      23.9
         149.0      14.0
         150.0      17.9
         151.0       3.4
         152.0       1.0
         164.0       8.4
         165.0      14.4
         166.0       1.7
         167.0       1.0
         186.0       4.0
         199.0       2.7
         201.0      11.1
         202.0       1.2
         229.0       4.8
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C10 H15 N O3 S 0.039 g : 0.5 ml CDCl3
    (-)-(2S,8aR)-(camphorsulfonyl)oxaziridine
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 3.294 B *1 3.113 C 2.632 D 2.136 E 2.02 F 1.99 G 1.92 J 1.780 K 1.52 L *2 1.175 M *2 1.039 ASSIGNED BY H-H AND C-H COSY. J(A,B)=-14.0HZ J(C,J)=-15.5HZ J(C,D)=4.5HZ J(C,F)=-2.8HZ J(D,F)=4.5HZ

         Hz     ppm     Int.
    

       1324.83   3.315    229
       1310.79   3.280    326
       1250.12   3.129    277
       1236.08   3.093    193
       1063.48   2.662     54
       1060.67   2.654     50
       1058.96   2.650     52
       1056.03   2.643     47
       1047.97   2.623     60
       1045.17   2.616     56
       1043.33   2.611     56
       1041.87   2.607     35
       1040.53   2.604     51
        857.91   2.147     59
        853.76   2.137    112
        850.95   2.130     56
        849.37   2.126     63
        816.04   2.042     65
        812.62   2.034     55
        807.01   2.020     85
        805.05   2.015    113
        804.32   2.013    109
        803.10   2.010    101
        801.64   2.006     62
        800.54   2.004     50
        798.83   1.999     53
        795.78   1.992     64
        791.99   1.982     54
        785.28   1.965     35
        782.35   1.958     56
        780.76   1.954     57
        779.05   1.950     70
        777.22   1.945     32
        769.41   1.926     70
        768.43   1.923     87
        766.11   1.917     40
        760.38   1.903     61
        718.99   1.800    207
        703.49   1.761    190
        616.46   1.543     35
        611.57   1.531     64
        608.40   1.523     91
        599.24   1.500     50
        469.73   1.176    937
        415.41   1.040   1000
    

KBr disc

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nujol mull

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