4-Nitroacetophenone(100-19-6) Raman
Product Name4-Nitroacetophenone
CAS100-19-6
Molecular FormulaC8H7NO3
Molecular Weight165.15
InChIInChI=1S/C8H7NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3
InChIKey YQYGPGKTNQNXMH-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=C([N+]([O-])=O)C=C1)C
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MassMS-NW-8853 4'-nitroacetophenone C8H7NO3 (Mass of molecular ion: 165)
Source Temperature: 270 °C Sample Temperature: 140 °C Reservoir, 75 eV
15.0 1.8 18.0 1.0 28.0 2.1 30.0 1.4 38.0 1.0 39.0 1.6 43.0 27.4 50.0 9.2 51.0 3.3 62.0 1.1 63.0 2.4 64.0 2.5 65.0 2.3 74.0 3.5 75.0 6.1 76.0 14.0 77.0 4.4 89.0 1.2 91.0 3.6 92.0 11.9 104.0 28.2 105.0 2.2 119.0 1.1 120.0 11.6 122.0 1.0 150.0 100.0 151.0 8.2 165.0 13.4 166.0 1.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H7 N O3 0.065 g : 0.5 ml CDCl3 4'-nitroacetophenone 
Assign. Shift(ppm)
A 8.307 B 8.141 C 2.703
Hz ppm Int.750.38 8.379 92 748.19 8.355 43 743.69 8.304 66 741.38 8.279 236 739.63 8.259 61 733.50 8.191 66 731.81 8.172 233 729.44 8.145 65 724.94 8.095 45 722.69 8.070 95 244.50 2.731 35 242.19 2.705 1000 239.13 2.671 34
in CDCl3
CCl4 solution
KBr disc
nujol mull
