Dodine(2439-10-3) ¹H NMR

Product NameDodine

CAS 2439-10-3

Molecular FormulaC15H33N3O2

Molecular Weight287.44

InChIInChI=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

SmilesN(CCCCCCCCCCCC)C(=N)N.C(O)(=O)C

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Dodine(2439-10-3) <sup>1</sup>H NMR
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