5-Nitroisatin(611-09-6) 1H NMR
Product Name5-Nitroisatin
CAS611-09-6
Molecular FormulaC8H4N2O4
Molecular Weight192.13
InChIInChI=1S/C8H4N2O4/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(7)12/h1-3H,(H,9,11,12)
InChIKey UNMYHYODJHKLOC-UHFFFAOYSA-N
SmilesN1C2=C(C=C([N+]([O-])=O)C=C2)C(=O)C1=O
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MassMS-IW-4952 5-nitro-2,3-indoledione C8H4N2O4 (Mass of molecular ion: 192)
Source Temperature: 170 °C Sample Temperature: 200 °C Direct, 75 eV
18.0 2.1 28.0 2.9 30.0 1.8 37.0 2.7 38.0 3.4 39.0 4.4 40.0 1.1 44.0 1.2 44.5 1.1 45.0 1.8 50.0 2.1 51.0 3.8 52.0 4.6 53.0 2.5 61.0 4.3 62.0 10.6 63.0 21.6 64.0 4.6 73.0 2.1 74.0 5.1 75.0 10.0 76.0 1.1 77.0 1.1 78.0 4.6 79.0 4.4 80.0 2.8 87.0 1.0 88.0 2.1 89.0 4.4 90.0 36.3 91.0 5.0 103.0 1.4 106.0 10.0 107.0 2.1 117.0 2.2 118.0 5.5 134.0 4.7 137.0 1.8 145.0 1.2 148.0 2.7 164.0 100.0 165.0 8.7 192.0 45.0 193.0 4.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H4 N2 O4 0.028 g : 0.5 ml DMSO-d6 5-nitro-2,3-indoledione 
Assign. Shift(ppm)
A 11.68 B 8.441 C 8.206 D 7.090 J(B,D)=8.7HZ J(B,C)=2.4HZ
Hz ppm Int.4668.00 11.681 538 3379.60 8.457 774 3377.22 8.451 729 3370.81 8.435 752 3368.43 8.429 871 3280.88 8.210 853 3278.50 8.204 856 3274.83 8.195 67 3273.55 8.192 37 3273.19 8.191 36 3271.90 8.187 30 3271.17 8.186 27 2837.62 7.101 990 2833.22 7.090 42 2829.37 7.080 897 2829.01 7.079 1000
in DMSO-d6
KBr disc
nujol mull
