2-Methoxy-5-nitrophenol(636-93-1) IR2
Product Name2-Methoxy-5-nitrophenol
CAS636-93-1
Molecular FormulaC7H7NO4
Molecular Weight169.13
InChIInChI=1S/C7H7NO4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3
InChIKey KXKCTSZYNCDFFG-UHFFFAOYSA-N
SmilesC1(O)=CC([N+]([O-])=O)=CC=C1OC
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MassMS-NW-7272 2-methoxy-5-nitrophenol C7H7NO4 (Mass of molecular ion: 169)
Source Temperature: 140 °C Sample Temperature: 110 °C Direct, 75 eV
15.0 3.7 17.0 2.1 18.0 11.8 26.0 3.2 27.0 2.0 28.0 3.4 29.0 3.3 30.0 22.9 31.0 3.9 37.0 2.5 38.0 6.4 39.0 10.7 40.0 1.2 41.0 10.2 42.0 1.7 43.0 1.8 49.0 2.7 50.0 11.5 51.0 25.3 52.0 31.9 53.0 13.5 54.0 3.0 55.0 10.5 61.0 3.0 62.0 7.4 63.0 10.0 64.0 2.7 65.0 24.6 66.0 2.5 67.0 5.9 68.0 4.8 69.0 2.8 77.0 10.6 78.0 1.1 79.0 17.2 80.0 16.2 81.0 1.4 91.0 4.1 92.0 1.9 93.0 5.6 94.0 2.1 95.0 1.8 96.0 7.3 107.0 3.3 108.0 25.4 109.0 2.4 111.0 12.2 123.0 25.8 124.0 2.4 139.0 22.8 140.0 3.0 153.0 2.4 154.0 1.5 169.0 100.0 170.0 8.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H7 N O4 0.041 g : 0.5 ml CDCl3 2-methoxy-5-nitrophenol 
Assign. Shift(ppm)
A 7.831 B 7.773 C 6.915 D 5.95 E 4.014
Hz ppm Int.3135.86 7.847 99 3133.18 7.840 115 3126.95 7.825 101 3124.39 7.818 122 3107.91 7.777 226 3105.22 7.770 184 2768.07 6.927 185 2759.16 6.904 176 2378.42 5.952 54 1604.25 4.015 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
