4-Nitrophthalic anhydride(5466-84-2) IR1
Product Name4-Nitrophthalic anhydride
CAS5466-84-2
Molecular FormulaC8H3NO5
Molecular Weight193.11
InChIInChI=1S/C8H3NO5/c10-7-5-2-1-4(9(12)13)3-6(5)8(11)14-7/h1-3H
InChIKey MMVIDXVHQANYAE-UHFFFAOYSA-N
SmilesC1(=O)C2=C(C=C([N+]([O-])=O)C=C2)C(=O)O1
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MassMS-NW-0194 4-nitrophthalic anhydride C8H3NO5 (Mass of molecular ion: 193)
Source Temperature: 220 °C Sample Temperature: 0 °C Direct, 75 eV
17.0 2.3 18.0 9.0 27.0 2.1 28.0 3.1 29.0 1.1 30.0 18.0 38.0 7.7 38.5 1.9 39.0 6.9 40.0 9.8 42.0 1.1 44.5 2.6 45.5 6.3 46.0 1.3 49.0 3.6 50.0 13.5 51.0 8.9 52.0 1.6 53.0 14.4 55.0 1.5 61.0 4.6 62.0 7.3 63.0 17.0 64.0 9.9 65.0 44.1 66.0 2.5 73.0 9.7 74.0 52.1 75.0 100.0 76.0 9.1 77.0 1.9 79.0 1.7 80.0 1.0 81.0 7.6 90.0 1.4 91.0 13.7 92.0 7.4 93.0 5.3 101.0 1.0 103.0 70.1 104.0 6.6 107.0 1.7 109.0 7.2 119.0 10.3 120.0 6.5 121.0 35.6 122.0 2.8 135.0 1.1 136.0 2.0 137.0 12.1 138.0 1.0 147.0 7.4 148.0 10.7 149.0 87.2 150.0 7.9 151.0 1.2 163.0 2.0 167.0 57.9 168.0 5.0 193.0 8.3 194.0 4.7 195.0 1.1 211.0 1.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H3 N O5 0.051 g : 0.5 ml CDCl3 4-nitrophthalic anhydride 
Assign. Shift(ppm)
A 8.841 B 8.80 C 8.29
Hz ppm Int.791.81 8.842 1000 790.38 8.826 371 784.31 8.758 366 782.38 8.736 239 745.94 8.329 390 744.50 8.313 251 738.38 8.245 158 737.00 8.230 273 736.50 8.224 98
in CDCl3
KBr disc
nujol mull
