Benzyl methyl ether(538-86-3) IR3
Product NameBenzyl methyl ether
CAS538-86-3
Molecular FormulaC8H10O
Molecular Weight122.16
InChIInChI=1S/C8H10O/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey GQKZBCPTCWJTAS-UHFFFAOYSA-N
SmilesC1(COC)=CC=CC=C1
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MassMS-NW-4804 alpha-methoxytoluene C8H10O (Mass of molecular ion: 122)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.0 27.0 1.8 28.0 1.6 29.0 4.1 38.0 1.8 39.0 8.8 41.0 2.3 45.0 5.8 50.0 4.1 51.0 9.3 52.0 2.4 53.0 1.0 62.0 1.7 63.0 5.1 64.0 1.5 65.0 13.2 74.0 1.1 77.0 22.2 78.0 3.4 79.0 10.2 89.0 4.9 90.0 3.4 91.0 100.0 92.0 22.9 93.0 2.2 105.0 4.6 106.0 1.0 107.0 2.4 121.0 54.9 122.0 67.3 123.0 6.0 126.0 1.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H10 O 0.04 ml : 0.5 ml CDCl3 alpha-methoxytoluene 
Assign. Shift(ppm)
A 7.32 B 4.44 C 3.37
Hz ppm Int.657.63 7.343 40 657.00 7.336 73 655.25 7.317 561 653.56 7.298 133 651.81 7.278 41 398.00 4.444 340 302.00 3.373 1000
in CDCl3
CCl4 solution
liquid film
