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5192-03-0

5-氨基吲哚(5192-03-0)質(zhì)譜(MS)

產(chǎn)品名稱:5-氨基吲哚

CAS:5192-03-0

分子式:C8H8N2

分子量: 132.16

InChI:InChI=1S/C8H8N2/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,9H2

InChIKey: ZCBIFHNDZBSCEP-UHFFFAOYSA-N

Smiles:N1C2=C(C=C(N)C=C2)C=C1

  • 圖譜
    Mass 

    MS2014-05014CW      
5-aminoindole
C8H8N2              (Mass of molecular ion:    132)


       Source Temperature: 250 °C
   Sample Temperature: 200 °C
   Reservoir, 70 eV


          28.0       1.9
      50.0       1.8
      51.0       3.7
      52.0       3.5
      53.0       1.5
      63.0       1.3
      65.0       1.6
      66.0       6.0
      75.0       1.2
      76.0       2.9
      77.0       7.3
      78.0       6.2
      79.0       3.1
      80.0       1.8
     102.0       1.3
     103.0       1.7
     104.0      24.9
     105.0      13.6
     106.0       1.6
     115.0       1.3
     129.0       1.1
     131.0      33.3
     132.0     100.0
     133.0       9.2

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C8 H8 N2 0.039 g : 0.5 ml DMSO-d6
    5-aminoindole
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            10.6
      B             7.111
      C             7.085
      D             6.694
      E             6.496
      F             6.131
      G             4.40
  

         Hz     ppm     Int.


       4221.19  10.563    222
   2844.70   7.118    430
   2841.95   7.112    697
   2839.20   7.105    444
   2835.85   7.096    558
   2831.73   7.086     42
   2827.45   7.075    589
   2676.39   6.697    641
   2674.26   6.692    639
   2601.47   6.510    438
   2599.33   6.505    407
   2592.93   6.489    412
   2590.79   6.483    389
   2453.31   6.139    327
   2452.55   6.137    366
   2450.56   6.132    560
   2448.43   6.127    350
   2447.66   6.125    298
   1757.81   4.399   1000

in DMSO-d6

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

  • 圖譜

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