1,4-DIMETHOXY-2-NITROBENZENE(89-39-4) IR1
Product Name1,4-DIMETHOXY-2-NITROBENZENE
CAS89-39-4
Molecular FormulaC8H9NO4
Molecular Weight183.16
InChIInChI=1S/C8H9NO4/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5H,1-2H3
InChIKey UPTOWXNJLZJTGD-UHFFFAOYSA-N
SmilesC1(OC)=CC=C(OC)C=C1[N+]([O-])=O
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MassMS-NW-1679 1,4-dimethoxy-2-nitrobenzene C8H9NO4 (Mass of molecular ion: 183)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 5.5 18.0 1.2 26.0 1.8 27.0 1.2 28.0 3.7 29.0 1.7 30.0 8.5 37.0 1.4 38.0 2.3 39.0 6.4 41.0 1.4 50.0 6.0 51.0 17.1 52.0 10.1 53.0 14.0 54.0 1.6 55.0 1.4 59.0 1.5 61.0 2.0 62.0 5.4 63.0 12.0 64.0 9.3 65.0 4.1 66.0 3.6 67.0 1.3 68.0 1.0 69.0 8.3 74.0 2.2 75.0 2.1 76.0 4.6 77.0 47.5 78.0 5.2 79.0 25.7 80.0 5.3 81.0 1.1 82.0 2.0 92.0 27.4 93.0 5.3 94.0 8.1 95.0 5.2 105.0 2.0 106.0 1.0 107.0 43.1 108.0 6.6 109.0 11.7 110.0 7.3 122.0 21.1 123.0 24.8 124.0 3.4 125.0 7.1 136.0 9.9 137.0 1.9 153.0 3.1 168.0 5.3 183.0 100.0 184.0 9.4 185.0 1.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H9 N O4 0.040 g : 0.5 ml CDCl3 1,4-dimethoxy-2-nitrobenzene 
Assign. Shift(ppm)
A 7.378 B 7.11 C 7.05 D *1 3.914 E *1 3.812 J(A,B)=2.6 HZ. J(A,C)=0.9 HZ. J(B,C)=9.1 HZ. CONFIRMED BY LAOCN PROGRAM.
Hz ppm Int.662.63 7.399 66 661.75 7.389 68 660.06 7.371 86 659.19 7.361 86 644.69 7.199 30 635.56 7.097 171 632.94 7.068 255 631.81 7.055 152 350.50 3.914 993 341.44 3.813 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
