92-62-6

吡啶-3,6-二胺(92-62-6)質(zhì)譜(MS)

產(chǎn)品名稱:吡啶-3,6-二胺

CAS:92-62-6

分子式:C13H11N3

分子量: 209.25

InChI:InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2

InChIKey: WDVSHHCDHLJJJR-UHFFFAOYSA-N

Smiles:C1C2C(=NC3C(C=2)=CC=C(N)C=3)C=C(N)C=1

Mass

MS-NW-6291          
3,6-diaminoacridine
C13H11N3            (Mass of molecular ion:    209)

   Source Temperature: 200 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      28.0       2.4
      39.0       1.4
      41.0       1.0
      50.0       1.0
      51.0       1.6
      52.0       2.0
      62.0       1.3
      63.0       2.4
      64.0       1.4
      65.0       1.0
      74.0       1.0
      75.0       1.5
      76.0       1.4
      77.0       4.4
      78.0       1.4
      89.0       1.1
      90.0       2.2
      91.0       6.6
     101.0       1.1
     104.0       5.4
     105.0       1.2
     126.0       1.4
     127.0       3.7
     128.0       2.1
     129.0       1.0
     140.0       1.4
     152.0       1.3
     153.0       2.5
     154.0       5.7
     155.0       3.0
     164.0       1.8
     165.0       1.9
     166.0       1.2
     179.0       2.3
     180.0       1.4
     181.0      17.6
     182.0      30.9
     183.0       4.5
     191.0       1.3
     192.0       1.6
     206.0       1.2
     207.0       2.5
     208.0       6.1
     209.0     100.0
     210.0      15.2
     211.0       1.4

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₃ H₁₁ N₃	0.037 g : 0.5 ml DMSO-d₆
3,6-diaminoacridine

    Assign.     Shift(ppm)

      A             8.502
      B             7.707
      C             6.909
      D             6.779
      E             6.48

     Hz     ppm     Int.

   3397.95   8.503    622
   3085.08   7.720    936
   3076.05   7.697   1000
   2766.85   6.924    595
   2764.89   6.919    627
   2757.93   6.901    587
   2755.98   6.896    627
   2709.84   6.781    939
   2709.59   6.780    939
   2708.62   6.778    921
   2590.70   6.483    268

in DMSO-d6