4-Methylanisole(104-93-8) IR2

Product Name4-Methylanisole

CAS 104-93-8

Molecular FormulaC8H10O

Molecular Weight122.16

InChIInChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3

InChIKey CHLICZRVGGXEOD-UHFFFAOYSA-N

SmilesC1(OC)=CC=C(C)C=C1

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Mass

MS-NW-0650          
p-methoxytoluene
C8H10O              (Mass of molecular ion:    122)

   Source Temperature: 240 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      15.0       1.1
      27.0       3.3
      38.0       1.2
      39.0       6.2
      41.0       1.3
      50.0       3.7
      51.0       7.4
      52.0       4.2
      53.0       3.8
      62.0       1.4
      63.0       3.5
      64.0       1.0
      65.0       4.6
      77.0      24.1
      78.0       6.8
      79.0      20.4
      80.0       1.4
      89.0       1.7
      90.0       1.5
      91.0      17.3
      92.0       6.3
      93.0       1.2
     107.0      27.0
     108.0       2.4
     121.0      39.2
     122.0     100.0
     123.0       8.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₀ O	10.4 mol% in CDCl₃
p-methoxytoluene

    Assign.     Shift(ppm)

      A             6.78
      B             7.05
      C             3.729
      D             2.26

     Hz     ppm     Int.

    636.94   7.112     74
    636.25   7.105     81
    635.56   7.097     45
    634.63   7.087     32
    633.94   7.079     27
    630.44   7.040     37
    629.81   7.033     42
    628.06   7.013    150
    627.44   7.006    133
    625.50   6.985     27
    624.88   6.978     24
    613.19   6.847     27
    610.63   6.819    200
    608.31   6.793     53
    604.13   6.746     36
    601.88   6.721    102
    334.00   3.730   1000
    202.44   2.261    452

in CDCl3