Benzyl ether(103-50-4) MS
Product NameBenzyl ether
CAS103-50-4
Molecular FormulaC14H14O
Molecular Weight198.26
InChIInChI=1S/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey MHDVGSVTJDSBDK-UHFFFAOYSA-N
SmilesO(CC1=CC=CC=C1)CC1=CC=CC=C1
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MassMS-NW-0561 benzyl ether C14H14O (Mass of molecular ion: 198)
Source Temperature: 270 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 2.4 27.0 1.1 39.0 5.1 41.0 1.3 50.0 2.7 51.0 7.1 52.0 1.9 63.0 2.2 65.0 11.3 77.0 14.6 78.0 2.7 79.0 18.4 80.0 1.2 89.0 2.0 90.0 1.7 91.0 67.9 92.0 100.0 93.0 7.6 105.0 9.6 106.0 4.7 107.0 15.7 108.0 2.7 120.0 1.0 167.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C14 H14 O 0.04 ml : 0.5 ml CDCl3 benzyl ether 
Assign. Shift(ppm)
A 7.36 to 7.27 B 4.540
Hz ppm Int.662.63 7.399 81 658.63 7.355 182 656.00 7.325 1000 653.25 7.294 239 651.25 7.272 76 649.75 7.255 46 648.13 7.237 43 646.38 7.218 27 642.25 7.172 26 406.63 4.541 877
in CDCl3
CCl4 solution
liquid film
4880 A,100M,liquid
