3,6-二氨基咔唑(86-71-5)質(zhì)譜(MS)

產(chǎn)品名稱:3,6-二氨基咔唑

CAS:86-71-5

分子式:C12H11N3

分子量: 197.24

InChI:InChI=1S/C12H11N3/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,15H,13-14H2

InChIKey: YCZUWQOJQGCZKG-UHFFFAOYSA-N

Smiles:N1C2=C(C=C(N)C=C2)C2=C1C=CC(N)=C2

Mass

MS-IW-3665          
3,6-carbazolediamine
C12H11N3            (Mass of molecular ion:    197)

   Source Temperature: 140 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      17.0       1.4
      18.0       7.1
      28.0       1.4
      52.0       1.2
      63.0       1.5
      70.5       2.9
      71.0       1.2
      71.5       2.0
      84.0       1.4
      84.5       7.7
      85.0       3.2
      89.0       1.7
      90.0       1.4
      98.0       5.0
      98.5      13.6
      99.0       2.0
     114.0       1.2
     115.0       2.8
     116.0       1.6
     140.0       2.1
     141.0       1.7
     142.0       1.9
     143.0       2.6
     144.0       1.0
     145.0       1.2
     152.0       2.0
     153.0       1.4
     154.0       1.1
     168.0       3.5
     169.0       8.5
     170.0       2.4
     179.0       2.7
     180.0       2.4
     181.0       5.9
     194.0       1.2
     195.0       1.5
     196.0      33.5
     197.0     100.0
     198.0      13.9

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₁₁ N₃	0.035 g : 0.5 ml DMSO-d₆
3,6-carbazolediamine

    Assign.     Shift(ppm)

      A            10.07
      B             7.081
      C             7.077
      D             6.688
      E             4.51

     Hz     ppm     Int.

   4023.59  10.068    331
   2834.01   7.092    737
   2829.90   7.081    701
   2827.45   7.075    760
   2825.93   7.072    895
   2815.55   7.046     22
   2678.07   6.702    449
   2675.93   6.696    444
   2669.53   6.680    396
   2667.39   6.675    427
   1803.13   4.512   1000

in DMSO-d6