4-Nitroindole(4769-97-5) IR1

Product Name4-Nitroindole

CAS 4769-97-5

Molecular FormulaC8H6N2O2

Molecular Weight162.15

InChIInChI=1S/C8H6N2O2/c11-10(12)8-3-1-2-7-6(8)4-5-9-7/h1-5,9H

InChIKey LAVZKLJDKGRZJG-UHFFFAOYSA-N

SmilesN1C2=C(C([N+]([O-])=O)=CC=C2)C=C1

Request For Quotation

Mass

MS-NW-7527          
4-nitroindole
C8H6N2O2            (Mass of molecular ion:    162)

   Source Temperature: 200 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      28.0       3.1
      30.0       1.9
      37.0       1.6
      38.0       2.3
      39.0       5.7
      50.0       3.3
      51.0       3.9
      52.0       2.4
      61.0       2.5
      62.0       9.8
      63.0      15.6
      64.0       3.2
      65.0       2.5
      74.0       1.8
      75.0       2.4
      76.0       3.9
      77.0       4.6
      78.0       2.0
      85.0       1.0
      86.0       2.4
      87.0       3.8
      88.0       5.6
      89.0      39.9
      90.0       6.1
     103.0       1.9
     104.0      18.2
     105.0       1.7
     114.0       2.9
     115.0       6.3
     116.0      75.7
     117.0       7.4
     131.0       1.4
     132.0      15.8
     133.0       1.6
     146.0       1.2
     162.0     100.0
     163.0      10.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₆ N₂ O₂	0.024 g : 0.5 ml DMSO-d₆
4-nitroindole

    Assign.     Shift(ppm)

      A            12.0
      B             8.084
      C             7.928
      D             7.792
      E             7.236
      F             7.077

     Hz     ppm     Int.

   4796.21  12.002    204
   3236.55   8.099    661
   3235.82   8.097    887
   3231.79   8.087     77
   3231.42   8.086     77
   3228.49   8.079    701
   3227.76   8.077    921
   3173.73   7.942    430
   3172.99   7.940    785
   3172.08   7.938    720
   3165.85   7.922    451
   3164.93   7.920    882
   3164.02   7.917    737
   3114.38   7.793    733
   3112.37   7.788    535
   2935.43   7.346    552
   2930.48   7.333     71
   2927.37   7.325   1000
   2922.42   7.313     56
   2919.49   7.306    489
   2829.01   7.079    667
   2827.91   7.076    660

in DMSO-d6