Ethyl p-nitrobenzoate(99-77-4) IR1
Product NameEthyl p-nitrobenzoate
CAS99-77-4
Molecular FormulaC9H9NO4
Molecular Weight195.17
InChIInChI=1S/C9H9NO4/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3
InChIKey PHWSCBWNPZDYRI-UHFFFAOYSA-N
SmilesC(OCC)(=O)C1=CC=C([N+]([O-])=O)C=C1
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MassMS-NW-9044 ethyl p-nitrobenzoate C9H9NO4 (Mass of molecular ion: 195)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 3.7 28.0 1.3 29.0 7.9 30.0 3.1 39.0 2.3 45.0 12.1 50.0 12.5 51.0 3.3 53.0 1.2 63.0 2.1 64.0 3.0 65.0 13.2 74.0 4.2 75.0 13.3 76.0 24.1 77.0 3.8 81.0 1.5 92.0 11.5 93.0 2.6 103.0 9.6 104.0 31.7 105.0 3.0 109.0 3.7 120.0 11.7 121.0 12.9 122.0 2.1 134.0 5.6 135.0 8.8 137.0 3.8 148.0 2.2 149.0 2.9 150.0 100.0 151.0 14.4 152.0 1.6 167.0 46.6 168.0 5.6 178.0 23.0 179.0 3.5 194.0 1.3 195.0 7.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H9 N O4 0.046 g : 0.5 ml CDCl3 ethyl p-nitrobenzoate 
Assign. Shift(ppm)
A 8.28 B 8.21 C 4.441 D 1.438
Hz ppm Int.748.81 8.361 51 747.63 8.348 33 745.63 8.326 34 742.50 8.291 39 739.50 8.258 825 737.88 8.239 813 734.88 8.206 54 731.69 8.170 40 729.69 8.148 34 728.50 8.135 53 408.75 4.564 117 401.56 4.484 436 394.44 4.405 457 387.44 4.327 138 135.69 1.516 463 128.63 1.437 1000 121.44 1.356 408
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
