4,4'-(1-Phenylethylidene) biphenol(1571-75-1) MS
Product Name4,4'-(1-Phenylethylidene) biphenol
CAS1571-75-1
Molecular FormulaC20H18O2
Molecular Weight290.36
InChIInChI=1S/C20H18O2/c1-20(15-5-3-2-4-6-15,16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h2-14,21-22H,1H3
InChIKey VOWWYDCFAISREI-UHFFFAOYSA-N
SmilesC(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)(C1=CC=CC=C1)C
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MassMS-IW-4871 4,4'-(alpha-methylbenzylidene)diphenol C20H18O2 (Mass of molecular ion: 290)
Source Temperature: 170 °C Sample Temperature: 140 °C Direct, 75 eV
18.0 2.2 55.0 1.4 65.0 1.6 77.0 2.2 91.0 2.8 94.0 1.1 101.0 1.4 103.0 3.4 106.0 1.4 107.0 1.0 113.0 1.3 115.0 1.4 119.0 5.3 120.0 1.0 128.0 1.5 145.0 1.6 152.0 3.5 153.0 2.4 165.0 2.0 181.0 9.9 182.0 2.1 195.0 1.3 196.0 1.4 197.0 7.2 198.0 1.3 202.0 1.2 213.0 7.2 214.0 1.2 215.0 1.1 231.0 1.3 245.0 1.1 274.0 1.4 275.0 100.0 276.0 21.1 277.0 2.5 290.0 23.3 291.0 5.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C20 H18 O2 0.038 g : 0.5 ml DMSO-d6 4,4'-(alpha-methylbenzylidene)diphenol 
Assign. Shift(ppm)
A 9.27 B 7.243 C 7.165 D 7.032 E 6.823 F 6.671 G 2.022
Hz ppm Int.3703.92 9.268 1000 2903.44 7.265 99 2901.76 7.261 44 2896.12 7.247 235 2888.49 7.228 185 2870.48 7.183 58 2869.26 7.180 101 2868.04 7.177 65 2863.92 7.167 46 2861.94 7.162 130 2859.80 7.156 36 2855.99 7.147 31 2854.77 7.144 47 2814.48 7.043 194 2813.11 7.039 247 2811.13 7.034 70 2805.94 7.021 204 2734.99 6.844 65 2732.09 6.837 497 2729.95 6.831 177 2725.37 6.820 220 2723.24 6.815 660 2720.34 6.807 86 2673.03 6.689 94 2670.14 6.682 685 2668.00 6.676 205 2663.42 6.665 196 2661.29 6.660 540 2658.23 6.652 62 807.95 2.022 445
in DMSO-d6
KBr disc
nujol mull
