1-(5-hydroxy-2-nitrophenyl)ethanone(30879-49-3) IR1
Product Name1-(5-hydroxy-2-nitrophenyl)ethanone
CAS30879-49-3
Molecular FormulaC8H7NO4
Molecular Weight181.15
InChIInChI=1S/C8H7NO4/c1-5(10)7-4-6(11)2-3-8(7)9(12)13/h2-4,11H,1H3
InChIKey PHQWMZYOGOPUIN-UHFFFAOYSA-N
SmilesC(=O)(C1=CC(O)=CC=C1[N+]([O-])=O)C
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MassMS-IW-3346 5'-hydroxy-2'-nitroacetophenone C8H7NO4 (Mass of molecular ion: 181)
Source Temperature: 120 °C Sample Temperature: 100 °C Direct, 75 eV
15.0 1.9 18.0 3.6 27.0 1.5 28.0 2.6 30.0 2.6 37.0 1.2 38.0 3.3 39.0 20.9 40.0 1.0 42.0 1.8 43.0 55.3 44.0 2.1 50.0 2.7 51.0 5.4 52.0 6.1 53.0 6.6 55.0 1.8 61.0 1.9 62.0 5.3 63.0 16.1 64.0 6.7 65.0 6.3 66.0 8.2 67.0 1.9 68.0 2.5 69.0 2.2 74.0 1.4 75.0 1.1 77.0 5.9 78.0 1.2 79.0 1.8 80.0 13.5 81.0 2.6 91.0 1.1 92.0 20.4 93.0 3.5 94.0 1.0 95.0 7.6 107.0 3.8 108.0 1.4 109.0 3.0 120.0 3.1 122.0 3.9 136.0 1.3 139.0 16.4 140.0 1.1 150.0 1.2 151.0 1.1 166.0 100.0 167.0 7.9 168.0 1.1 181.0 40.7 182.0 3.9
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H7 N O4 0.037 g : 0.5 ml DMSO-d6 5'-hydroxy-2'-nitroacetophenone 
Assign. Shift(ppm)
A 11.4 B 8.093 C 7.005 D 6.859 E 2.497
Hz ppm Int.3239.29 8.106 167 3230.13 8.083 173 2805.33 7.020 97 2802.73 7.013 105 2796.33 6.997 94 2793.73 6.991 97 2742.46 6.863 175 2739.87 6.856 160 997.92 2.497 1000
in CDCl3
KBr disc
nujol mull
