1,3-BIS(4-METHOXYPHENOXY)BENZENE(13118-91-7) IR2
Product Name1,3-BIS(4-METHOXYPHENOXY)BENZENE
CAS13118-91-7
Molecular FormulaC20H18O4
Molecular Weight322.35
InChIInChI=1S/C20H18O4/c1-21-15-6-10-17(11-7-15)23-19-4-3-5-20(14-19)24-18-12-8-16(22-2)9-13-18/h3-14H,1-2H3
InChIKey MUFYVNCRQIHDCE-UHFFFAOYSA-N
SmilesC1(OC2=CC=C(OC)C=C2)=CC=CC(OC2=CC=C(OC)C=C2)=C1
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MassMS-IW-5490 m-bis(p-methoxyphenoxy)benzene C20H18O4 (Mass of molecular ion: 322)
Source Temperature: 160 °C Sample Temperature: 140 °C Direct, 75 eV
63.0 1.3 64.0 2.5 76.0 3.3 77.0 2.2 92.0 2.8 95.0 1.9 115.0 1.1 123.0 6.9 124.0 1.0 128.0 3.9 132.0 1.0 135.0 1.3 139.0 1.1 151.0 1.0 153.5 4.4 156.0 2.4 157.0 2.1 161.0 10.4 161.5 1.6 171.0 9.2 172.0 1.3 183.0 3.0 184.0 2.1 185.0 2.7 199.0 2.9 213.0 7.7 214.0 1.8 264.0 1.0 307.0 8.8 308.0 1.9 322.0 100.0 323.0 21.7 324.0 3.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C20 H18 O4 0.041 g : 0.5 ml CDCl3 m-bis(p-methoxyphenoxy)benzene 
Assign. Shift(ppm)
A 7.160 B 6.976 C 6.868 D 6.58 E 3.781
Hz ppm Int.2870.12 7.182 36 2861.45 7.160 55 2853.27 7.140 41 2793.70 6.991 240 2791.26 6.985 90 2786.87 6.974 105 2784.42 6.968 347 2780.88 6.959 45 2751.83 6.886 42 2748.17 6.877 321 2745.73 6.871 97 2741.46 6.860 83 2739.01 6.854 223 2634.52 6.593 35 2633.54 6.590 59 2631.84 6.586 159 2630.37 6.582 92 2628.66 6.578 65 2626.83 6.573 84 2625.24 6.569 198 2623.54 6.565 54 2622.44 6.562 32 1511.23 3.782 1000
in CDCl3
KBr disc
nujol mull
