1,2,3-Trimethoxybenzene(634-36-6) Raman

Product Name1,2,3-Trimethoxybenzene

CAS 634-36-6

Molecular FormulaC9H12O3

Molecular Weight168.19

InChIInChI=1S/C9H12O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h4-6H,1-3H3

InChIKey CRUILBNAQILVHZ-UHFFFAOYSA-N

SmilesC1(OC)=CC=CC(OC)=C1OC

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Mass

MS-NW-8746          
1,2,3-trimethoxybenzene
C9H12O3             (Mass of molecular ion:    168)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      15.0       2.1
      28.0       1.9
      38.0       1.9
      39.0      12.9
      41.0       1.7
      50.0       2.8
      51.0       7.1
      52.0       2.0
      53.0       3.5
      55.0       2.2
      63.0       1.7
      64.0       1.6
      65.0       9.8
      66.0       1.7
      67.0       2.6
      76.0       1.3
      77.0       7.8
      78.0       1.3
      79.0       3.0
      80.0       1.0
      82.0       3.1
      92.0       2.3
      93.0      25.1
      94.0       2.4
      95.0      18.7
      96.0       1.2
     107.0       6.0
     108.0       5.9
     109.0       1.3
     110.0      30.4
     111.0       2.1
     122.0       1.6
     123.0       1.1
     125.0      27.3
     126.0       2.0
     137.0       1.6
     138.0       3.6
     152.0       2.3
     153.0      69.1
     154.0       6.1
     168.0     100.0
     169.0       9.9
     170.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₂ O₃	0.039 g : 0.5 ml CDCl₃
1,2,3-trimethoxybenzene

    Assign.     Shift(ppm)

      A             6.990
      B             6.581
      C             3.858
      D             3.854

     Hz     ppm     Int.

   2802.25   7.012     66
   2793.95   6.991    106
   2785.52   6.970     79
   2634.40   6.592    237
   2625.98   6.571    218
   1541.99   3.859   1000
   1540.28   3.855    747

in CDCl3