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网站主页CAS数据库列表 3058-04-6更多图谱3,9-双(3-氰基乙基)-2,4,8,10-四氧杂螺[5.5]十一烷(3058-04-6)核磁图(13CNMR)

3,9-双(3-氰基乙基)-2,4,8,10-四氧杂螺[5.5]十一烷

产品名称 3,9-双(3-氰基乙基)-2,4,8,10-四氧杂螺[5.5]十一烷

CAS号3058-04-6

分子式C13H18N2O4

分子量266.29

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  • Mass

    MS-IW-7560          
    3,3'-(2,4,8,10-tetraoxaspiro(5.5)undecane-3,9-diyl)dipropionitrile
    C13H18N2O4          (Mass of molecular ion:    266)
    

       Source Temperature: 170 °C
       Sample Temperature: 180 °C
       Direct, 75 eV
    

          15.0       1.3
          18.0       4.7
          26.0       7.2
          27.0      24.0
          28.0      22.9
          29.0      17.3
          30.0       6.4
          31.0      10.5
          37.0       1.7
          38.0       2.8
          39.0      23.9
          40.0      12.7
          41.0      49.2
          42.0      11.9
          43.0      14.4
          44.0       2.0
          45.0       1.1
          50.0       1.2
          51.0       2.6
          52.0       4.6
          53.0      17.8
          54.0      31.0
          55.0      28.2
          56.0      14.6
          57.0       7.3
          65.0       1.3
          66.0       4.3
          67.0       6.1
          68.0       4.8
          69.0      16.7
          70.0      31.4
          71.0      36.4
          72.0       5.4
          77.0       1.6
          78.0       1.0
          79.0       9.5
          80.0       2.4
          81.0       3.4
          82.0      23.1
          83.0      58.3
          84.0      75.1
          85.0      11.4
          86.0       1.7
          87.0       1.2
          94.0       1.4
          95.0       2.6
          96.0       5.6
          97.0       2.5
          98.0      39.1
          99.0     100.0
         100.0      14.4
         101.0       3.5
         106.0       1.2
         107.0       1.0
         108.0       2.2
         109.0       1.1
         110.0       1.7
         111.0       1.0
         112.0       8.1
         113.0       1.9
         114.0       6.6
         115.0      23.2
         116.0       1.9
         124.0       2.6
         125.0       2.2
         126.0       1.5
         128.0       3.7
         129.0       3.9
         134.0       1.2
         135.0       1.4
         136.0       4.7
         137.0       1.0
         138.0       4.4
         152.0      21.3
         153.0       6.5
         154.0       3.1
         166.0       8.8
         167.0       1.8
         182.0       3.7
         212.0      97.0
         213.0      11.1
         214.0       1.4
         225.0       6.2
         226.0       1.2
         265.0       7.5
         266.0       1.2
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C13 H18 N2 O4 0.039 g : 0.5 ml CDCl3
    3,3'-(2,4,8,10-tetraoxaspiro(5.5)undecane-3,9-diyl)dipropionitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.606 B *1 4.502 C *1 3.59 D *2 3.570 E *2 3.383 F 2.471 G 1.964

         Hz     ppm     Int.
    

       1845.70   4.619    239
       1841.06   4.607    498
       1836.43   4.596    249
       1806.64   4.521    153
       1805.54   4.518    147
       1804.20   4.515    166
       1795.04   4.492    171
       1793.70   4.489    160
       1792.60   4.486    172
       1445.31   3.617    218
       1442.75   3.611    218
       1433.47   3.587    353
       1431.76   3.583    462
       1431.03   3.581    506
       1420.29   3.554    334
       1357.42   3.397    528
       1345.83   3.368    428
        995.61   2.492    440
        988.04   2.473   1000
        980.71   2.454    588
        794.31   1.988    299
        789.67   1.976    319
        786.99   1.970    582
        782.35   1.958    578
        779.54   1.951    294
        774.90   1.939    264
    

in CDCl3



KBr disc



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