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Back ChemicalBook Home>CAS DataBase List>13754-86-4More Spectrum> 1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONE(13754-86-4) 1H NMR

13754-86-4

1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONE(13754-86-4) 1H NMR

Molecular FormulaC8H9NO

Molecular Weight135.16

InChIInChI=1S/C8H9NO/c10-8-3-1-2-7-6(8)4-5-9-7/h4-5,9H,1-3H2

InChIKey KASJZXHXXNEULX-UHFFFAOYSA-N

SmilesN1C2=C(C(=O)CCC2)C=C1

  • 1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONE(13754-86-4) <sup>1</sup>H NMR
    Mass

    MS-IW-4930          
    1,5,6,7-tetrahydro-4-indolone
    C8H9NO              (Mass of molecular ion:    135)
    

       Source Temperature: 150 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          27.0       2.7
          28.0       8.0
          37.0       1.2
          38.0       3.2
          39.0       6.0
          41.0       1.8
          50.0       4.0
          51.0       9.7
          52.0      18.0
          52.5       1.0
          53.0       4.0
          53.5       6.0
          54.0       1.1
          63.0       2.0
          64.0       1.0
          65.0       2.2
          66.0       1.0
          67.0       1.2
          77.0       5.1
          78.0       5.0
          79.0      83.6
          80.0       6.8
          92.0       1.7
          93.0       1.2
         104.0       2.9
         105.0       1.6
         106.0       5.0
         107.0      94.9
         108.0       7.2
         118.0       1.4
         120.0       2.9
         134.0       1.8
         135.0     100.0
         136.0       9.5
    

400 MHz in DMSO-d6

  • 1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONE(13754-86-4) <sup>1</sup>H NMR

    1H NMR 399.65 MHz
    C8 H9 N O 0.040 g : 0.5 ml DMSO-d6
    1,5,6,7-tetrahydro-4-indolone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.3 B 6.717 C 6.258 D 2.748 E 2.293 F 2.004

         Hz     ppm     Int.
    

       4517.80  11.305     99
       2687.24   6.724    412
       2684.49   6.718    519
       2682.11   6.712    402
       2503.52   6.265    450
       2501.32   6.259    551
       2500.59   6.257    540
       2498.39   6.252    422
       1104.49   2.764    540
       1098.45   2.749   1000
       1092.22   2.733    575
        925.36   2.316    532
        919.50   2.301    771
        918.03   2.298    605
        912.54   2.284    680
        813.08   2.035    181
        806.67   2.019    489
        800.44   2.003    654
        794.03   1.987    435
        790.36   1.978     78
        787.80   1.972    137
    

in DMSO-d6

  • 1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONE(13754-86-4) <sup>1</sup>H NMR

KBr disc

  • 1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONE(13754-86-4) <sup>1</sup>H NMR

nujol mull

  • 1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONE(13754-86-4) <sup>1</sup>H NMR

1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONE(13754-86-4) 1H NMR Atlas of Related Products

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