5673-07-4

2,6-DIMETHOXYTOLUENE(5673-07-4) MS

Product Name2,6-DIMETHOXYTOLUENE

CAS 5673-07-4

Molecular FormulaC9H12O2

Molecular Weight152.19

InChIInChI=1S/C9H12O2/c1-7-8(10-2)5-4-6-9(7)11-3/h4-6H,1-3H3

InChIKey FPEUDBGJAVKAEE-UHFFFAOYSA-N

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

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2,6-DIMETHOXYTOLUENE(5673-07-4) MS
Mass

MS-IW-5075          
2,6-dimethoxytoluene
C9H12O2             (Mass of molecular ion:    152)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       1.3
      39.0       5.9
      40.0       1.4
      41.0       1.4
      43.0       1.7
      50.0       2.2
      51.0       6.0
      52.0       3.9
      53.0       2.9
      55.0       1.3
      63.0       2.1
      65.0       7.2
      66.0       5.4
      76.0       1.6
      77.0      16.7
      78.0       6.4
      79.0      11.2
      81.0       1.4
      89.0       1.3
      90.0       9.4
      91.0      23.9
      92.0       3.8
      93.0       4.2
      94.0       5.9
      95.0       1.1
     104.0       1.1
     105.0       4.9
     106.0       2.7
     107.0      22.4
     108.0       4.1
     109.0       8.6
     120.0       2.1
     121.0      32.6
     122.0       9.9
     123.0      10.2
     137.0      23.3
     138.0       2.1
     151.0      11.4
     152.0     100.0
     153.0       9.9

400 MHz in CDCl3

2,6-DIMETHOXYTOLUENE(5673-07-4) MS

¹H NMR	399.65 MHz
C₉ H₁₂ O₂	0.038 g : 0.5 ml CDCl₃
2,6-dimethoxytoluene

    Assign.     Shift(ppm)

      A             7.108
      B             6.530
      C             3.809
      D             2.102

     Hz     ppm     Int.

   2849.37   7.130     35
   2840.94   7.109     73
   2832.76   7.089     41
   2613.77   6.541    180
   2605.47   6.520    169
   1522.46   3.810   1000
    840.09   2.103    448

in CDCl3