3,4-DIMETHYLANISOLE(4685-47-6) Raman

Product Name3,4-DIMETHYLANISOLE

CAS 4685-47-6

Molecular FormulaC9H12O

Molecular Weight136.19

InChIInChI=1S/C9H12O/c1-7-4-5-9(10-3)6-8(7)2/h4-6H,1-3H3

InChIKey LVUBSVWMOWKPDJ-UHFFFAOYSA-N

SmilesC1(C)=CC=C(OC)C=C1C

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Mass

MS-NW-5901          
3,4-dimethylanisole
C9H12O              (Mass of molecular ion:    136)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       2.5
      27.0       5.5
      38.0       1.8
      39.0      11.2
      40.0       1.6
      41.0       5.0
      50.0       3.8
      51.0       9.9
      52.0       4.4
      53.0       5.8
      62.0       1.6
      63.0       4.9
      64.0       1.3
      65.0       8.7
      66.0       1.6
      67.0       1.9
      68.0       1.5
      74.0       1.2
      77.0      27.5
      78.0       7.2
      79.0       5.6
      89.0       1.6
      91.0      32.3
      92.0       4.5
      93.0      11.3
      94.0       1.1
     103.0       4.2
     104.0       1.8
     105.0       9.9
     106.0       2.6
     107.0       1.4
     120.0       1.0
     121.0      82.4
     122.0       8.4
     134.0       1.0
     135.0      34.8
     136.0     100.0
     137.0      10.1
     150.0       1.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₂ O	0.04 ml : 0.5 ml CDCl₃
3,4-dimethylanisole

    Assign.     Shift(ppm)

      A             7.008
      B             6.69
      C             6.66
      D             3.746
      E     *1      2.223
      F     *1      2.180

     Hz     ppm     Int.

    632.38   7.061     47
    624.50   6.973     71
    598.75   6.686    158
    596.13   6.657     26
    590.69   6.596     40
    587.75   6.563     25
    335.56   3.747   1000
    199.13   2.224    432
    195.25   2.181    448

in CDCl3