59-48-3

2-吲哚酮(59-48-3)质谱(MS)

产品名称:2-吲哚酮

CAS:59-48-3

分子式:C8H7NO

分子量: 133.15

InChI:InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)

InChIKey: JYGFTBXVXVMTGB-UHFFFAOYSA-N

Smiles:N1C2=C(C=CC=C2)CC1=O

Mass

MS-IW-9308          
2-indolinone
C8H7NO              (Mass of molecular ion:    133)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.7
      26.0       1.0
      27.0       2.5
      28.0       3.4
      37.0       1.8
      38.0       3.7
      39.0       6.6
      43.0       2.3
      50.0       8.0
      51.0      15.9
      51.5       3.4
      52.0      14.6
      52.5       7.6
      53.0       2.1
      61.0       1.2
      62.0       1.9
      63.0       4.6
      64.0       1.7
      65.0       1.0
      66.5       5.7
      67.0       1.7
      74.0       1.7
      75.0       2.0
      76.0       4.0
      77.0      15.6
      78.0      37.5
      79.0       3.0
      89.0       4.3
      90.0       1.9
     102.0       1.0
     103.0       1.8
     104.0      74.0
     105.0      46.8
     106.0       3.7
     132.0       5.1
     133.0     100.0
     134.0       9.8

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₇ N O	0.036 g : 0.5 ml DMSO-d₆
2-indolinone

    Assign.     Shift(ppm)

      A            10.4
      B             7.20
      C             7.16
      D             6.928
      E             6.826
      F             3.463

     Hz     ppm     Int.

   4146.27  10.375    140
   2880.71   7.209    223
   2880.10   7.207    219
   2872.62   7.188    349
   2867.89   7.177     24
   2864.84   7.169    278
   2863.62   7.166    253
   2857.21   7.150    159
   2855.99   7.147    149
   2776.34   6.947    187
   2775.27   6.945    210
   2768.55   6.928    304
   2767.79   6.926    323
   2761.23   6.910    149
   2760.31   6.907    153
   2731.48   6.835    326
   2724.15   6.817    294
   2723.69   6.816    292
   1383.97   3.463   1000

KBr disc