2,5-DIMETHYLANISOLE(1706-11-2) Raman

Product Name2,5-DIMETHYLANISOLE

CAS 1706-11-2

Molecular FormulaC9H12O

Molecular Weight136.19

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

InChIKey SJZAUIVYZWPNAS-UHFFFAOYSA-N

SmilesC1(C)=CC=C(C)C=C1OC

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Mass

MS-NW-5882          
2,5-dimethylanisole
C9H12O              (Mass of molecular ion:    136)

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

      15.0       1.6
      27.0       4.2
      38.0       1.3
      39.0       7.6
      40.0       1.0
      41.0       3.2
      50.0       2.8
      51.0       6.2
      52.0       2.9
      53.0       4.6
      62.0       1.2
      63.0       3.0
      64.0       1.0
      65.0       6.0
      68.0       1.0
      77.0      22.3
      78.0       6.9
      79.0       4.5
      89.0       1.1
      91.0      29.4
      92.0       3.6
      93.0       7.4
     103.0       5.4
     104.0       5.9
     105.0      17.8
     106.0       4.3
     107.0       1.2
     121.0      58.3
     122.0       5.9
     135.0      12.0
     136.0     100.0
     137.0       9.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₂ O	0.04 ml : 0.5 ml CDCl₃
2,5-dimethylanisole

    Assign.     Shift(ppm)

      A             6.98
      B             6.64
      C             6.62
      D             3.778
      E             2.309
      F             2.168

     Hz     ppm     Int.

    630.13   7.036     37
    629.69   7.031     40
    629.56   7.030     40
    622.19   6.948     66
    621.75   6.943     69
    598.63   6.685     58
    592.31   6.614    129
    338.31   3.778   1000
    206.94   2.311    358
    206.56   2.307    378
    194.19   2.169    383

in CDCl3