2-Nitro-p-cresol(119-33-5) IR2
Product Name2-Nitro-p-cresol
CAS119-33-5
Molecular FormulaC7H7NO3
Molecular Weight153.14
InChIInChI=1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3
InChIKey SYDNSSSQVSOXTN-UHFFFAOYSA-N
SmilesC1(O)=CC=C(C)C=C1[N+]([O-])=O
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MassMS-NW-4919 2-nitro-p-cresol C7H7NO3 (Mass of molecular ion: 153)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.8 26.0 2.0 27.0 8.5 28.0 3.6 29.0 1.6 30.0 4.5 37.0 1.6 38.0 2.9 39.0 14.7 40.0 1.7 41.0 4.7 43.0 4.5 49.0 1.0 50.0 7.6 51.0 18.0 52.0 15.0 53.0 14.6 54.0 1.2 55.0 8.6 61.0 1.0 62.0 2.0 63.0 6.0 64.0 1.8 65.0 9.5 66.0 3.1 67.0 6.5 74.0 1.3 75.0 1.1 76.0 1.9 77.0 42.2 78.0 25.4 79.0 8.4 80.0 1.3 81.0 1.1 91.0 1.6 92.0 2.0 95.0 11.3 105.0 10.9 106.0 4.4 107.0 18.8 108.0 6.4 120.0 1.8 123.0 8.6 135.0 1.9 136.0 6.9 137.0 1.8 152.0 1.8 153.0 100.0 154.0 8.4 155.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H7 N O3 0.039 g : 0.5 ml CDCl3 2-nitro-p-cresol 
Assign. Shift(ppm)
A 10.41 B 7.876 C 7.379 D 7.048 E 2.337 J(A,D)=0.4HZ. J(C,D)=8.5HZ.
Hz ppm Int.932.88 10.417 618 932.44 10.412 625 707.38 7.899 95 706.94 7.894 106 706.50 7.889 114 706.13 7.885 127 705.19 7.874 138 704.75 7.870 130 704.31 7.865 132 703.94 7.860 118 667.88 7.458 52 667.44 7.453 72 666.88 7.447 58 666.25 7.440 31 665.69 7.433 51 665.19 7.428 66 664.69 7.422 50 659.31 7.362 85 658.81 7.357 116 658.31 7.351 91 657.81 7.345 52 657.13 7.338 88 656.63 7.332 114 656.19 7.327 88 634.44 7.084 275 625.88 6.989 162 209.31 2.338 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
