13754-86-4

1,5,6,7-四氢-4H-吲哚-4-酮(13754-86-4)核磁图(¹HNMR)

产品名称:1,5,6,7-四氢-4H-吲哚-4-酮

CAS:13754-86-4

分子式:C8H9NO

分子量: 135.16

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

InChIKey: KASJZXHXXNEULX-UHFFFAOYSA-N

Smiles:N1C2=C(C(=O)CCC2)C=C1

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

¹H NMR	399.65 MHz
C₈ H₉ N O	0.040 g : 0.5 ml DMSO-d₆
1,5,6,7-tetrahydro-4-indolone

    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