1,3-Bis(2-hydroxyethoxy)benzene(102-40-9) IR1
Product Name1,3-Bis(2-hydroxyethoxy)benzene
CAS102-40-9
Molecular FormulaC10H14O4
Molecular Weight198.22
InChIInChI=1S/C10H14O4/c11-4-6-13-9-2-1-3-10(8-9)14-7-5-12/h1-3,8,11-12H,4-7H2
InChIKey IAXFZZHBFXRZMT-UHFFFAOYSA-N
SmilesC1(OCCO)=CC=CC(OCCO)=C1
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MassMS-IW-6470 2,2'-(m-phenylenedioxy)diethanol C10H14O4 (Mass of molecular ion: 198)
Source Temperature: 150 °C Sample Temperature: 130 °C Direct, 75 eV
15.0 1.2 18.0 4.5 19.0 1.4 27.0 4.7 28.0 1.1 29.0 6.4 31.0 1.2 38.0 1.2 39.0 5.3 41.0 1.0 42.0 1.4 43.0 7.0 44.0 6.3 45.0 20.9 50.0 1.9 51.0 2.1 52.0 1.0 53.0 3.2 54.0 1.4 55.0 1.8 63.0 3.7 64.0 4.6 65.0 15.1 66.0 2.0 67.0 1.4 68.0 1.3 69.0 5.7 76.0 3.0 77.0 3.0 78.0 1.0 79.0 2.0 81.0 5.6 82.0 17.5 83.0 3.1 91.0 1.2 92.0 2.9 93.0 10.0 94.0 3.2 95.0 3.1 107.0 4.9 108.0 1.5 109.0 2.9 110.0 100.0 111.0 91.6 112.0 6.3 119.0 1.0 121.0 1.0 123.0 7.2 124.0 3.6 134.0 2.3 135.0 4.6 136.0 7.5 137.0 14.9 138.0 1.6 153.0 1.5 154.0 26.9 155.0 34.5 156.0 3.2 180.0 2.4 198.0 84.2 199.0 10.0 200.0 1.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H14 O4 0.041 g : 0.5 ml DMSO-d6 2,2'-(m-phenylenedioxy)diethanol 
Assign. Shift(ppm)
A 7.160 B 6.51 C 6.49 D 4.86 E 3.958 F 3.709
Hz ppm Int.2870.73 7.184 163 2870.12 7.182 148 2862.18 7.162 399 2854.49 7.143 202 2854.13 7.142 204 2607.18 6.524 453 2604.86 6.518 568 2599.49 6.505 172 2598.51 6.502 240 2596.80 6.498 761 2595.46 6.495 323 2594.85 6.493 365 2593.14 6.489 329 2590.70 6.483 127 1948.49 4.876 406 1942.99 4.862 986 1937.50 4.848 429 1587.28 3.972 608 1582.40 3.960 1000 1579.96 3.954 240 1577.15 3.947 734 1489.62 3.728 366 1484.25 3.714 787 1479.49 3.702 648 1474.00 3.689 297
in DMSO-d6
KBr disc
nujol mull
