HEXESTROL(5635-50-7) 13C NMR
Molecular FormulaC18H22O2
Molecular Weight270.37
InChIInChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3
InChIKey PBBGSZCBWVPOOL-UHFFFAOYSA-N
SmilesC(C1=CC=C(O)C=C1)(CC)C(C1=CC=C(O)C=C1)CC
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MassMS-NW-2353 4,4'-(1,2-diethylethylene)diphenol C18H22O2 (Mass of molecular ion: 270)
Source Temperature: 190 °C Sample Temperature: 120 °C Direct, 75 eV
17.0 1.4 18.0 6.2 27.0 1.2 28.0 1.3 39.0 2.4 41.0 6.3 51.0 1.1 55.0 1.1 65.0 1.7 77.0 3.8 79.0 1.4 91.0 3.0 95.0 1.2 107.0 38.2 108.0 2.9 115.0 1.2 119.0 1.0 120.0 2.9 133.0 1.8 134.0 17.1 135.0 100.0 136.0 10.2 270.0 1.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C18 H22 O2 0.038 g : 0.5 ml DMSO-d6 4,4'-(1,2-diethylethylene)diphenol 
Assign. Shift(ppm)
A 9.14 B 6.993 C 6.727 D 2.408 E *1 1.27 F *1 1.18 G 0.455
Hz ppm Int.3653.11 9.141 748 2799.07 7.004 610 2790.53 6.983 698 2692.41 6.737 774 2683.87 6.716 687 966.95 2.420 137 963.59 2.412 102 961.76 2.407 106 958.40 2.399 143 523.68 1.311 41 521.24 1.305 46 516.05 1.292 67 515.29 1.290 67 513.76 1.286 67 510.25 1.277 95 502.78 1.259 89 495.30 1.240 47 487.98 1.222 54 485.53 1.215 45 480.65 1.203 76 477.75 1.196 75 474.40 1.188 69 470.43 1.178 75 467.22 1.170 54 464.17 1.162 53 457.00 1.144 32 189.36 0.474 485 182.04 0.456 1000 174.71 0.438 447
in DMSO-d6
KBr disc
nujol mull
