4,4'-Dimethoxybenzhydrol(728-87-0) MS
Product Name4,4'-Dimethoxybenzhydrol
CAS728-87-0
Molecular FormulaC15H16O3
Molecular Weight244.29
InChIInChI=1S/C15H16O3/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10,15-16H,1-2H3
InChIKey ZODAOVNETBTTJX-UHFFFAOYSA-N
SmilesC1(=CC=C(OC)C=C1)C(O)C1C=CC(OC)=CC=1
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MassMS-NW-6941 4,4'-dimethoxybenzhydrol C15H16O3 (Mass of molecular ion: 244)
Source Temperature: 180 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 1.4 18.0 4.0 39.0 3.0 50.0 1.7 51.0 3.0 53.0 1.0 63.0 3.6 64.0 4.1 65.0 4.1 66.0 2.4 75.0 1.2 76.0 2.2 77.0 16.3 78.0 4.4 79.0 2.0 91.0 1.5 92.0 6.9 93.0 1.5 94.0 5.9 105.0 3.2 107.0 5.6 108.0 28.3 109.0 32.0 110.0 2.7 113.0 1.4 113.5 1.5 115.0 2.6 121.0 2.4 122.0 2.1 128.0 1.2 135.0 100.0 136.0 11.0 137.0 13.0 138.0 1.3 139.0 1.7 141.0 2.7 152.0 1.9 153.0 1.6 168.0 1.1 169.0 2.4 183.0 1.0 184.0 1.3 195.0 1.0 197.0 4.5 211.0 2.9 212.0 2.8 213.0 5.2 214.0 1.0 227.0 18.2 228.0 9.5 229.0 1.7 242.0 6.2 243.0 9.3 244.0 39.4 245.0 6.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C15 H16 O3 0.035 g : 0.5 ml CDCl3 4,4'-dimethoxybenzhydrol 
Assign. Shift(ppm)
A 7.249 B 6.843 C 5.722 D 3.766 E 2.34 J(C,E)=3.2HZ
Hz ppm Int.2904.79 7.269 26 2901.98 7.262 207 2899.90 7.257 65 2895.26 7.245 77 2892.94 7.239 264 2890.38 7.233 28 2742.19 6.862 35 2739.26 6.855 278 2737.18 6.849 85 2732.67 6.838 85 2730.47 6.833 252 2727.54 6.825 29 2288.57 5.727 47 2285.40 5.719 46 1505.00 3.766 1000 938.72 2.349 68 935.30 2.341 61
in CDCl3
KBr disc
nujol mull
