1,4-BIS(3-HYDROXYPHENOXY)BENZENE(5085-95-0) MS
Product Name1,4-BIS(3-HYDROXYPHENOXY)BENZENE
CAS5085-95-0
Molecular FormulaC18H14O4
Molecular Weight294.3
InChIInChI=1S/C18H14O4/c19-13-3-1-5-17(11-13)21-15-7-9-16(10-8-15)22-18-6-2-4-14(20)12-18/h1-12,19-20H
InChIKey CHBWEVDVYGBMEJ-UHFFFAOYSA-N
SmilesC1(OC2C=CC=C(O)C=2)=CC=C(OC2C=CC=C(O)C=2)C=C1
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MassMS-IW-4041 3,3'-(p-phenylenedioxy)diphenol C18H14O4 (Mass of molecular ion: 294)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 4.6 39.0 5.5 53.0 1.0 63.0 2.4 64.0 3.2 65.0 10.5 69.0 1.4 91.0 1.4 92.0 1.6 93.0 4.1 94.0 1.0 110.0 1.1 115.0 3.2 116.0 2.0 117.0 1.5 121.0 1.7 127.0 2.7 128.0 5.1 129.0 6.2 131.0 1.3 133.0 2.5 145.0 1.8 147.0 4.1 155.0 1.5 156.0 1.4 157.0 4.1 173.0 1.6 183.0 3.2 184.0 4.8 185.0 2.5 186.0 4.1 201.0 2.0 202.0 3.8 225.0 1.2 266.0 1.2 293.0 1.1 294.0 100.0 295.0 19.8 296.0 2.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C18 H14 O4 0.042 g : 0.5 ml DMSO-d6 3,3'-(p-phenylenedioxy)diphenol 
Assign. Shift(ppm)
A 9.62 B 7.155 C 7.065 D 6.539 E 6.431 F 6.395 J(B,D)=8.1HZ J(B,E)=8.1HZ J(D,E)=2.3HZ J(D,F)=2.3HZ J(E,F)=2.3HZ
Hz ppm Int.3845.67 9.623 378 2868.04 7.177 112 2859.95 7.157 229 2851.72 7.136 128 2823.94 7.067 1000 2619.02 6.554 82 2618.10 6.551 96 2616.73 6.548 88 2615.81 6.546 95 2610.78 6.533 78 2610.02 6.531 83 2608.64 6.528 88 2607.73 6.526 86 2575.99 6.446 79 2575.23 6.444 87 2573.70 6.440 99 2572.78 6.438 99 2567.90 6.426 69 2567.14 6.424 72 2565.61 6.420 109 2564.70 6.418 99 2557.83 6.401 161 2555.54 6.395 232 2553.25 6.389 104
in DMSO-d6
KBr disc
nujol mull
