2439-10-3

多果定(2439-10-3)核磁图(¹³CNMR)

产品名称:多果定

CAS:2439-10-3

分子式:C15H33N3O2

分子量: 287.44

InChI:InChI=1S/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)

InChIKey: YIKWKLYQRFRGPM-UHFFFAOYSA-N

Smiles:N(CCCCCCCCCCCC)C(=N)N.C(O)(=O)C

Mass

MS2001-00698WA      
dodine
C13H29N3 C2H4O2     (Mass of molecular ion:    227)

   Source Temperature: 190 °C
   Sample Temperature:  20 °C
   Direct, 70 eV
   comment:  water solution, remove water peaks

      14.0       2.0
      15.0       5.2
      18.0       4.4
      26.0       1.1
      27.0      13.9
      28.0       6.3
      29.0      31.4
      30.0      51.6
      31.0       2.8
      39.0      10.4
      40.0       2.3
      41.0      62.1
      42.0      12.3
      43.0     100.0
      44.0      25.2
      45.0      23.6
      53.0       4.2
      54.0       3.0
      55.0      30.3
      56.0      13.0
      57.0      14.4
      58.0       4.0
      59.0      40.7
      60.0      18.4
      67.0       3.6
      68.0       1.4
      69.0      10.3
      70.0       3.9
      71.0       2.4
      72.0      77.1
      73.0      87.5
      74.0       2.9
      81.0       1.4
      83.0       4.4
      84.0       2.2
      85.0       1.4
      86.0      64.6
      87.0      50.1
      88.0       2.2
      97.0       1.8
      98.0       2.3
      99.0       1.3
     100.0      78.7
     101.0      21.6
     102.0       1.1
     112.0       1.4
     114.0      61.3
     115.0      14.0
     128.0      70.6
     129.0      13.0
     142.0      38.2
     143.0       9.8
     156.0      36.2
     157.0       7.0
     170.0      29.9
     171.0       6.2
     184.0      29.0
     185.0       6.2
     198.0      19.6
     199.0       3.0
     212.0       7.6
     213.0       1.1
     226.0      12.3
     227.0      48.4
     228.0       8.6

in DMSO-d6