2439-10-3

多果定(2439-10-3)核磁图(¹HNMR)

产品名称:多果定

CAS:2439-10-3

分子式:C13H29N3.C2H4O2

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