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)

产品名称:3,9-二(3-氨基丙基)-2,4,8,10-四氧杂螺[5.5]十一烷

CAS:21587-74-6

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

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

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

    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