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Back ChemicalBook Home>CAS DataBase List>5653-67-8More Spectrum> 2,3-Dimethoxybenzyl alcohol(5653-67-8) IR1

2,3-Dimethoxybenzyl alcohol(5653-67-8) IR1

Molecular FormulaC9H12O3

Molecular Weight168.19

InChIInChI=1S/C9H12O3/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-5,10H,6H2,1-2H3

InChIKey CRLBBOBKCLYCJK-UHFFFAOYSA-N

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


  • Mass

    MS-NW-6349          
    2,3-dimethoxybenzyl alcohol
    C9H12O3             (Mass of molecular ion:    168)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       3.7
          18.0       2.4
          26.0       1.2
          27.0       3.8
          28.0       3.7
          29.0       3.4
          31.0       2.8
          37.0       1.0
          38.0       2.8
          39.0      10.1
          40.0       1.3
          41.0       4.3
          43.0       1.8
          45.0       1.3
          50.0       4.6
          51.0      10.6
          52.0       4.5
          53.0       6.4
          54.0       2.4
          55.0       5.1
          59.0       1.1
          62.0       1.7
          63.0       4.1
          64.0       2.5
          65.0      31.7
          66.0       4.3
          67.0       4.9
          74.0       1.2
          75.0       1.3
          76.0       2.9
          76.5       1.0
          77.0      11.9
          78.0       4.4
          79.0       5.8
          80.0       1.7
          81.0       6.1
          82.0       7.4
          89.0       1.4
          90.0       2.7
          91.0       7.0
          92.0       4.4
          93.0      45.5
          94.0       6.9
          95.0       2.6
          96.0       1.8
          97.0       3.7
         104.0       1.7
         105.0       4.4
         106.0       5.4
         107.0      13.3
         108.0       4.6
         109.0      10.5
         110.0      14.8
         111.0       1.0
         118.0       4.0
         119.0       6.5
         120.0       2.3
         121.0       3.2
         122.0       4.1
         123.0       4.0
         124.0       4.4
         125.0      10.5
         135.0      15.9
         136.0       8.7
         137.0      15.6
         138.0       4.6
         139.0      13.1
         140.0       1.4
         150.0       2.4
         151.0       5.6
         152.0       4.5
         153.0      22.9
         154.0       1.8
         167.0       4.9
         168.0     100.0
         169.0      12.3
         170.0       1.2
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C9 H12 O3 0.047 g : 0.5 ml CDCl3
    2,3-dimethoxybenzyl alcohol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.02 B 6.92 C 6.87 D 4.68 E 3.866 F 3.85 G 2.45

         Hz     ppm     Int.
    

        631.50   7.052     46
        624.44   6.973    166
        621.38   6.939    118
        618.56   6.907     93
        616.19   6.881     48
        611.50   6.828     22
        608.81   6.798     23
        419.06   4.680    162
        346.25   3.867   1000
        345.06   3.853    793
        219.00   2.446     52
    

in CDCl3



KBr disc



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