Benzyl ether(103-50-4) Raman

Product NameBenzyl ether

CAS 103-50-4

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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Mass

MS-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

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