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Benz[cd]indol-2(1H)-one

Product Name Benz[cd]indol-2(1H)-one

CAS130-00-7

MFC11H7NO

MW169.18

¹³CNMR

Mass

MS2014-05016CW      
benz(cd)indol-2(1H)-one
C11H7NO             (Mass of molecular ion:    169)

   Source Temperature: 250 °C
   Sample Temperature:  25 °C
   Direct, 70 eV

      18.0       2.5
      38.0       1.0
      39.0       2.3
      50.0       2.1
      51.0       1.8
      56.5       1.8
      57.0       6.1
      57.5       2.7
      61.0       1.6
      62.0       4.9
      63.0       8.3
      64.0       2.3
      69.5       1.3
      70.0       2.9
      70.5      14.7
      71.0       3.8
      74.0       3.6
      75.0       3.2
      76.0       1.8
      84.5      10.7
      85.0       2.5
      86.0       3.9
      87.0       6.0
      88.0       9.3
      89.0       1.9
      98.0       1.0
      99.0       1.1
     111.0       1.0
     112.0       1.4
     113.0      21.9
     114.0      44.9
     115.0       6.4
     126.0       1.6
     139.0       2.0
     140.0      59.0
     141.0      51.6
     142.0       6.2
     168.0       3.8
     169.0     100.0
     170.0      34.6
     171.0       2.5
     203.0       3.6
     205.0       1.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₁ H₇ N O	0.025 g : 0.5 ml DMSO-d₆
benz(cd)indol-2(1H)-one

    Assign.     Shift(ppm)

      A            10.83
      B             8.187
      C             8.051
      D             7.825
      E             7.617
      F             7.526
      G             7.027
     
     J(B,D)=8.1HZ
     J(C,D)=7.0HZ
     J(E,F)=8.2HZ
     J(F,G)=7.0HZ

     Hz     ppm     Int.

   4330.29  10.836    317
   3276.52   8.199    728
   3272.40   8.189     30
   3268.43   8.179    827
   3221.59   8.062    726
   3217.77   8.052     37
   3214.57   8.044    854
   3134.61   7.844    650
   3131.87   7.837     41
   3130.95   7.835     39
   3127.59   7.826    610
   3126.53   7.824    620
   3123.93   7.817     40
   3119.51   7.806    510
   3049.32   7.630    631
   3040.92   7.609   1000
   3014.83   7.544    640
   3007.81   7.527    691
   3006.29   7.523    430
   2999.42   7.506    452
   2997.28   7.500     36
   2811.89   7.036    848
   2808.38   7.028     37
   2805.02   7.019    806

in DMSO-d6

KBr disc

nujol mull

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