2-Nitroacetophenone(577-59-3) 1H NMR
Product Name2-Nitroacetophenone
CAS577-59-3
Molecular FormulaC8H7NO3
Molecular Weight165.15
InChIInChI=1S/C8H7NO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3
InChIKey SUGXZLKUDLDTKX-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=CC=C1[N+]([O-])=O)C
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MassMS-NW-0976 2'-nitroacetophenone C8H7NO3 (Mass of molecular ion: 165)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 4.4 18.0 1.4 27.0 4.4 28.0 3.2 30.0 10.4 37.0 1.7 38.0 3.0 39.0 5.8 42.0 3.8 43.0 73.3 44.0 1.7 50.0 20.7 51.0 41.6 52.0 6.8 61.0 1.1 62.0 2.2 63.0 5.3 64.0 3.0 65.0 6.0 74.0 5.9 75.0 5.4 76.0 23.7 77.0 11.4 78.0 14.8 79.0 1.4 89.0 1.9 91.0 8.6 92.0 2.9 104.0 6.8 123.0 10.4 135.0 1.6 150.0 100.0 151.0 8.1 152.0 1.0 165.0 1.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H7 N O3 0.04 ml : 0.5 ml CDCl3 2'-nitroacetophenone 
Assign. Shift(ppm)
A 8.07 B 7.72 C 7.61 D 7.45 E 2.560
Hz ppm Int.726.50 8.112 40 726.13 8.108 41 724.94 8.095 40 723.94 8.084 37 718.88 8.027 76 717.13 8.008 68 695.13 7.762 55 693.50 7.744 50 689.38 7.698 80 688.63 7.690 109 686.81 7.669 120 681.69 7.612 49 679.69 7.590 72 674.19 7.528 35 672.94 7.514 82 672.50 7.509 88 670.50 7.487 75 666.44 7.442 38 665.38 7.430 38 663.88 7.413 39 663.50 7.409 37 232.06 2.592 30 229.06 2.558 1000
in CDCl3
CCl4 solution
liquid film
4880 A,100M,liquid
