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返回ChemicalBook首页>CAS数据库列表>21587-74-6更多图谱> 3,9-二(3-氨基丙基)-2,4,8,10-四氧杂螺[5.5]十一烷(21587-74-6)核磁图(13CNMR)

21587-74-6

3,9-二(3-氨基丙基)-2,4,8,10-四氧杂螺[5.5]十一烷(21587-74-6)核磁图(13CNMR)

分子式:C13H26N2O4

分子量: 274.36

InChI:InChI=1S/C13H26N2O4/c14-5-1-3-11-16-7-13(8-17-11)9-18-12(19-10-13)4-2-6-15/h11-12H,1-10,14-15H2

InChIKey: ANOPCGQVRXJHHD-UHFFFAOYSA-N

Smiles:C1C2(COC(CCCN)OC2)COC(CCCN)O1

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    Mass

    MS-IW-7558          
    3,3'-(2,4,8,10-tetraoxaspiro(5.5)undecane-3,9-diyl)dipropylamine
    C13H26N2O4          (Mass of molecular ion:    274)
    

       Source Temperature: 160 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          18.0       3.0
          27.0       1.9
          28.0       2.9
          29.0       2.5
          30.0      23.4
          31.0       2.9
          39.0       3.3
          40.0       1.5
          41.0      14.6
          42.0       4.4
          43.0      22.2
          44.0      17.7
          53.0       3.5
          54.0       2.1
          55.0       4.8
          56.0       2.8
          57.0       3.5
          58.0       1.2
          59.0      18.9
          60.0       1.3
          67.0       1.4
          68.0       7.2
          69.0      14.0
          70.0     100.0
          71.0      19.7
          72.0       1.9
          83.0       5.1
          84.0       2.5
          85.0       1.3
          86.0      10.2
          87.0       3.8
          88.0       8.1
          96.0       1.0
          98.0       1.1
          99.0       3.6
         100.0       1.1
         101.0       1.2
         104.0       3.0
         140.0       1.0
         141.0       1.1
         151.0       2.2
         157.0       3.2
         158.0      14.5
         159.0       1.9
         172.0       1.4
         174.0       3.5
         187.0       3.0
         188.0       1.6
         204.0       7.4
         205.0       1.1
         216.0      11.7
         217.0       1.6
         231.0       1.5
         232.0       9.6
         233.0       1.2
         245.0       2.1
         274.0       1.8
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C13 H26 N2 O4 0.043 g : 0.5 ml CDCl3
    3,3'-(2,4,8,10-tetraoxaspiro(5.5)undecane-3,9-diyl)dipropylamine
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 4.536 B 4.463 C *1 3.563 D *2 3.527 E *2 3.345 F 2.690 G 1.645 J 1.536 K 1.43 ASSIGNED BY C-H COSY

         Hz     ppm     Int.
    

       1819.95   4.554    194
       1818.85   4.552    183
       1817.50   4.548    205
       1808.47   4.526    213
       1807.01   4.522    197
       1806.03   4.520    216
       1788.82   4.476    300
       1784.06   4.465    634
       1779.17   4.452    318
       1432.13   3.584    267
       1429.57   3.578    266
       1420.53   3.555    344
       1417.97   3.549    369
       1415.28   3.542    445
       1403.69   3.513    415
       1342.04   3.359    668
       1330.44   3.330    538
       1082.40   2.709    661
       1075.44   2.691   1000
       1068.48   2.674    699
        669.68   1.676    130
        667.72   1.671    129
        665.04   1.665    140
        662.48   1.658    377
        660.64   1.654    195
        657.71   1.646    366
        655.76   1.641    208
        653.32   1.635    603
        648.56   1.623    444
        630.98   1.579     79
        628.91   1.574    183
        625.24   1.565     90
        621.83   1.556    361
        617.43   1.545    182
        615.11   1.540    358
        613.40   1.535    320
        611.21   1.530    124
        609.74   1.526    137
        607.79   1.521    239
        606.69   1.519    239
        600.71   1.504    104
        599.24   1.500    108
        569.58   1.426     99
    

in CDCl3

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KBr disc

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nujol mull

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