2-Chloro-4-nitoranisole(4920-79-0) MS
Product Name2-Chloro-4-nitoranisole
CAS4920-79-0
Molecular FormulaC7H6ClNO3
Molecular Weight187.58
InChIInChI=1S/C7H6ClNO3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,1H3
InChIKey DLJPNXLHWMRQIQ-UHFFFAOYSA-N
SmilesC1(OC)=CC=C([N+]([O-])=O)C=C1Cl
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MassMS-IW-6502 2-chloro-1-methoxy-4-nitrobenzene C7H6ClNO3 (Mass of molecular ion: 187)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 4.5 30.0 3.4 31.0 1.1 32.0 1.3 37.0 1.3 38.0 1.5 50.0 3.9 51.0 4.4 53.0 2.7 61.0 2.3 62.0 5.5 63.0 20.5 64.0 1.5 72.0 1.4 73.0 1.7 74.0 5.7 75.0 12.1 76.0 3.5 77.0 17.6 78.0 3.5 79.0 7.8 84.0 1.1 86.0 1.2 97.0 2.5 98.0 9.4 99.0 1.5 100.0 3.2 107.0 20.1 108.0 1.6 109.0 1.0 110.0 1.6 111.0 20.9 112.0 2.1 113.0 7.8 114.0 1.8 126.0 30.6 127.0 2.2 128.0 10.1 129.0 2.0 141.0 9.5 142.0 1.5 143.0 3.1 157.0 23.0 158.0 1.8 159.0 7.6 171.0 2.5 187.0 100.0 188.0 8.3 189.0 33.1 190.0 2.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H6 Cl N O3 0.038 g : 0.5 ml CDCl3 2-chloro-1-methoxy-4-nitrobenzene 
Assign. Shift(ppm)
A 8.282 B 8.172 C 7.017 D 4.027
Hz ppm Int.3311.52 8.287 201 3308.84 8.280 219 3271.97 8.188 112 3269.17 8.181 98 3262.82 8.165 115 3260.13 8.158 102 2808.96 7.029 175 2799.93 7.006 168 1609.50 4.028 1000
in CDCl3
KBr disc
nujol mull
