4-Nitroindole(4769-97-5) Raman
Product Name4-Nitroindole
CAS4769-97-5
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
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MassMS-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
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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
KBr disc
nujol mull
