α-Methylbenzyl ether(93-96-9) 1H NMR
Product Nameα-Methylbenzyl ether
CAS93-96-9
Molecular FormulaC16H18O
Molecular Weight226.31
InChIInChI=1S/C16H18O/c1-13(15-9-5-3-6-10-15)17-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3
InChIKey WXAVSTZWKNIWCN-UHFFFAOYSA-N
SmilesO(C(C1=CC=CC=C1)C)C(C1=CC=CC=C1)C
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MassMS-IW-1463 bis(alpha-methylbenzyl) ether C16H18O (Mass of molecular ion: 226)
Source Temperature: 260 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 1.0 39.0 1.2 43.0 4.0 51.0 3.5 65.0 1.1 77.0 11.5 78.0 3.4 79.0 8.6 91.0 12.4 92.0 1.9 103.0 6.2 104.0 4.4 105.0 100.0 106.0 27.4 107.0 5.5 121.0 14.4 122.0 1.4 211.0 5.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C16 H18 O 0.04 ml : 0.5 ml CDCl3 bis(alpha-methylbenzyl) ether 
Assign. Shift(ppm)
A *1 7.34 to 7.26 B *1 7.30 to 7.20 C *2 4.52 D *2 4.24 E *3 1.45 F *3 1.38 OPTICAL ISOMER
Hz ppm Int.657.44 7.341 205 653.81 7.301 1000 650.00 7.258 846 647.69 7.232 219 645.19 7.204 130 642.75 7.177 40 408.44 4.561 80 402.00 4.489 83 383.50 4.283 98 376.94 4.209 108 133.63 1.493 460 127.25 1.421 557 126.44 1.412 619 123.06 1.375 40 121.94 1.362 41 119.94 1.340 526
in CDCl3
liquid film
