4-Methoxyindole(4837-90-5) ¹³C NMR

Product Name4-Methoxyindole

CAS 4837-90-5

Molecular FormulaC9H9NO

Molecular Weight147.17

InChIInChI=1S/C9H9NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-6,10H,1H3

InChIKey LUNOXNMCFPFPMO-UHFFFAOYSA-N

SmilesN1C2=C(C(OC)=CC=C2)C=C1

Request For Quotation

Mass

MS-IW-0086          
4-methoxyindole
C9H9NO              (Mass of molecular ion:    147)

   Source Temperature: 270 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       1.8
      38.0       1.3
      39.0       2.3
      50.0       4.6
      51.0       7.0
      52.0       1.8
      62.0       2.6
      63.0       4.2
      64.0       1.0
      65.0       1.1
      73.5       1.8
      74.0       1.8
      75.0       2.1
      76.0       6.4
      77.0      11.9
      78.0       5.2
      87.0       1.0
      88.0       1.2
      89.0       7.3
      90.0       2.2
     102.0       1.3
     103.0       4.2
     104.0      50.1
     105.0       4.2
     116.0      11.3
     117.0       3.2
     118.0       2.7
     132.0      86.5
     133.0       8.2
     146.0       3.9
     147.0     100.0
     148.0      10.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₉ N O	0.032 g : 0.5 ml CDCl₃
4-methoxyindole

    Assign.     Shift(ppm)

      A             8.07
      B             7.108
      C             7.043
      D             6.978
      E             6.651
      F             6.523
      G             3.942
     
     J(C,E)=3.2HZ
     J(A,E)=2.2HZ
     J(E,D)=1.0HZ

     Hz     ppm     Int.

   2849.49   7.130     74
   2841.43   7.110    160
   2833.62   7.091    107
   2817.63   7.051     90
   2814.94   7.044    109
   2814.45   7.043    111
   2812.01   7.037     95
   2793.33   6.990     93
   2792.48   6.988    140
   2791.75   6.986     91
   2785.16   6.969     72
   2784.30   6.967    106
   2783.57   6.966     67
   2661.25   6.659     70
   2660.28   6.657     74
   2659.06   6.654     82
   2658.08   6.652    127
   2656.98   6.649     77
   2655.76   6.646     75
   2654.91   6.644     68
   2611.08   6.534    126
   2603.39   6.515    120
   1575.68   3.943   1000

in CDCl3