5-Methyl-2-nitrophenol(700-38-9) 1H NMR
Product Name5-Methyl-2-nitrophenol
CAS700-38-9
Molecular FormulaC7H7NO3
Molecular Weight153.14
InChIInChI=1S/C7H7NO3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3
InChIKey NQXUSSVLFOBRSE-UHFFFAOYSA-N
SmilesC1(O)=CC(C)=CC=C1[N+]([O-])=O
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MassMS-NW-8903 6-nitro-m-cresol C7H7NO3 (Mass of molecular ion: 153)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 4.7 28.0 1.9 30.0 2.2 38.0 2.7 39.0 13.4 40.0 1.6 41.0 3.3 43.0 2.9 50.0 5.5 51.0 13.5 52.0 11.3 53.0 13.1 54.0 1.0 55.0 7.0 62.0 2.0 63.0 6.1 64.0 1.9 65.0 11.4 66.0 3.8 67.0 6.9 74.0 1.1 75.0 1.0 76.0 1.9 77.0 37.1 78.0 16.7 79.0 6.9 92.0 2.2 94.0 1.1 95.0 12.6 105.0 5.3 106.0 2.3 107.0 8.1 108.0 2.4 120.0 3.2 123.0 23.0 124.0 1.8 136.0 4.1 137.0 1.4 153.0 100.0 154.0 8.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H7 N O3 0.038 g : 0.5 ml CDCl3 6-nitro-m-cresol 
Assign. Shift(ppm)
A 10.60 B 7.968 C 6.932 D 6.779 E 2.391
Hz ppm Int.949.00 10.597 659 718.25 8.020 188 709.63 7.924 219 621.50 6.940 169 620.88 6.933 190 620.50 6.929 184 612.25 6.837 118 611.81 6.832 116 610.44 6.816 98 609.94 6.811 89 603.63 6.740 94 603.25 6.736 94 602.38 6.726 73 601.81 6.720 89 601.31 6.715 81 214.19 2.392 1000
in CDCl3
KBr disc
nujol mull
