4-Chloro-2-nitroanisole(89-21-4) IR2
Product Name4-Chloro-2-nitroanisole
CAS89-21-4
Molecular FormulaC7H6ClNO3
Molecular Weight187.58
InChIInChI=1S/C7H6ClNO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3
InChIKey OSAYFGJUEOYRHY-UHFFFAOYSA-N
SmilesC1(OC)=CC=C(Cl)C=C1[N+]([O-])=O
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MassMS-NW-0674 4-chloro-2-nitroanisole C7H6ClNO3 (Mass of molecular ion: 187)
Source Temperature: 190 °C Sample Temperature: 0 °C Direct, 75 eV
14.0 2.3 15.0 18.0 26.0 2.6 27.0 1.9 29.0 8.9 30.0 39.3 31.0 5.0 37.0 10.1 38.0 9.6 39.0 4.7 46.0 9.7 47.0 1.4 49.0 4.2 50.0 27.2 51.0 21.9 52.0 2.7 53.0 8.1 60.0 2.5 61.0 14.4 62.0 31.7 63.0 100.0 64.0 6.5 65.0 14.0 66.0 1.4 71.0 1.4 72.0 6.9 73.0 9.3 74.0 23.3 75.0 57.2 76.0 21.8 77.0 18.1 78.0 8.6 79.0 13.2 84.0 3.3 85.0 5.7 86.0 5.8 87.0 2.4 88.0 1.7 91.0 1.3 93.0 6.1 94.0 4.4 96.0 1.0 97.0 5.5 98.0 25.4 99.0 15.5 100.0 8.7 101.0 4.9 110.0 4.1 111.0 58.0 112.0 15.8 113.0 26.2 114.0 9.4 115.0 3.0 116.0 1.6 126.0 59.5 127.0 22.5 128.0 22.7 129.0 24.8 130.0 2.3 131.0 5.9 140.0 53.1 141.0 4.1 142.0 18.1 143.0 1.5 156.0 1.2 157.0 17.5 158.0 2.2 159.0 5.8 187.0 46.2 188.0 4.5 189.0 15.2 190.0 1.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H6 Cl N O3 0.046 g : 0.5 ml CDCl3 4-chloro-2-nitroanisole 
Assign. Shift(ppm)
A 7.821 B 7.495 C 7.059 D 3.957 J(A,B)=2.5HZ. J(B,C)=9.0HZ.
Hz ppm Int.701.81 7.837 136 699.50 7.811 164 699.19 7.807 161 677.94 7.570 120 675.38 7.542 93 669.00 7.470 174 666.38 7.441 154 635.81 7.100 155 626.81 6.999 103 354.44 3.958 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
