1-Chloro-2,5-dimethoxy-4-nitrobenzene(6940-53-0) IR2
Product Name1-Chloro-2,5-dimethoxy-4-nitrobenzene
CAS6940-53-0
Molecular FormulaC8H8ClNO4
Molecular Weight217.61
InChIInChI=1S/C8H8ClNO4/c1-13-7-4-6(10(11)12)8(14-2)3-5(7)9/h3-4H,1-2H3
InChIKey ORLPGMKKCAEWOW-UHFFFAOYSA-N
SmilesC1(Cl)=CC(OC)=C([N+]([O-])=O)C=C1OC
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MassMS-IW-3614 1-chloro-2,5-dimethoxy-4-nitrobenzene C8H8ClNO4 (Mass of molecular ion: 217)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 3.1 27.0 1.2 28.0 3.4 29.0 2.5 30.0 6.6 37.0 1.2 38.0 1.3 39.0 3.5 49.0 1.5 50.0 7.2 51.0 3.5 52.0 1.0 53.0 22.0 54.0 1.2 59.0 2.7 60.0 2.0 61.0 5.0 62.0 9.9 63.0 12.1 64.0 2.1 65.0 5.3 66.0 1.1 67.0 1.1 69.0 2.3 73.0 3.7 74.0 4.2 75.0 7.1 76.0 3.8 77.0 23.6 78.0 5.1 79.0 4.0 80.0 1.0 82.0 1.7 84.0 1.2 85.0 12.1 86.0 3.3 87.0 5.6 88.0 2.2 89.0 1.5 91.0 1.2 92.0 2.0 93.0 6.3 96.0 1.1 97.0 6.1 98.0 7.1 99.0 4.4 100.0 4.3 101.0 1.3 105.0 1.1 107.0 10.4 108.0 10.3 109.0 11.6 110.0 2.8 111.0 18.4 112.0 3.2 113.0 30.5 114.0 4.3 115.0 8.9 116.0 2.7 121.0 3.2 124.0 4.4 126.0 24.1 127.0 4.2 128.0 14.4 129.0 7.0 130.0 2.9 131.0 2.8 137.0 1.2 139.0 1.2 140.0 1.0 141.0 40.8 142.0 6.2 143.0 22.6 144.0 8.0 145.0 3.9 146.0 2.2 155.0 1.0 156.0 20.4 157.0 27.1 158.0 9.3 159.0 18.7 160.0 1.7 161.0 3.4 169.0 1.2 170.0 15.0 171.0 3.2 172.0 11.7 173.0 1.9 174.0 2.7 187.0 4.2 188.0 1.0 189.0 10.8 190.0 1.0 191.0 5.0 193.0 1.2 202.0 12.8 203.0 1.3 204.0 4.3 206.0 1.3 217.0 100.0 218.0 9.6 219.0 33.4 220.0 3.1 245.0 2.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H8 Cl N O4 0.046 g : 0.5 ml CDCl3 1-chloro-2,5-dimethoxy-4-nitrobenzene 
Assign. Shift(ppm)
A 7.502 B 7.155 C *1 3.939 D *1 3.921
Hz ppm Int.2998.29 7.503 315 2859.50 7.156 329 1574.34 3.940 1000 1567.14 3.922 967
in CDCl3
KBr disc
nujol mull
