Benzyl methyl ether(538-86-3) IR1

Product NameBenzyl methyl ether

CAS 538-86-3

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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Mass

MS-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

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