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Back ChemicalBook Home>CAS DataBase List>705-76-0More Spectrum> 3,5-Dimethoxybenzyl alcohol(705-76-0) 13C NMR

3,5-Dimethoxybenzyl alcohol(705-76-0) 13C NMR

Molecular FormulaC9H12O3

Molecular Weight168.19

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

InChIKey AUDBREYGQOXIFT-UHFFFAOYSA-N

SmilesC1(CO)=CC(OC)=CC(OC)=C1


  • Mass

    MS-NW-6354          
    3,5-dimethoxybenzyl alcohol
    C9H12O3             (Mass of molecular ion:    168)
    

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

          15.0       3.9
          18.0       2.5
          27.0       2.7
          28.0       4.9
          29.0       2.7
          31.0       2.7
          38.0       2.5
          39.0       8.0
          40.0       1.5
          41.0       5.5
          43.0       2.1
          45.0       1.2
          50.0       2.7
          51.0       6.0
          52.0       2.5
          53.0       4.4
          54.0       1.4
          55.0       2.7
          59.0       1.8
          62.0       2.1
          63.0       6.0
          64.0       3.0
          65.0      11.1
          66.0       3.8
          67.0       4.1
          69.0       3.8
          74.0       1.1
          75.0       1.1
          77.0      10.4
          78.0       4.1
          79.0       4.4
          80.0       1.1
          81.0       2.7
          82.0       3.5
          91.0       3.4
          92.0       2.9
          93.0       3.7
          94.0       4.6
          95.0       3.1
          96.0       2.9
          97.0       4.4
         105.0       1.6
         106.0       1.1
         107.0       6.3
         108.0       5.0
         109.0      15.3
         110.0       3.0
         120.0       2.3
         121.0       6.2
         122.0       3.4
         123.0       1.2
         124.0       5.4
         125.0      11.0
         135.0       5.5
         136.0       2.1
         137.0       8.6
         138.0       1.7
         139.0      39.5
         140.0       3.7
         149.0       1.5
         151.0       8.6
         152.0       2.5
         153.0       3.1
         165.0       1.6
         166.0       3.6
         167.0       9.5
         168.0     100.0
         169.0      10.1
         170.0       1.1
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C9H12O3 0.038 g : 0.5 ml CDCl3
    3,5-dimethoxybenzyl alcohol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.490 B 6.358 C 4.578 D 3.761 E 2.43

         Hz     ppm     Int.
    

       2595.71   6.493    183
       2595.10   6.492    121
       2593.88   6.489    123
       2593.39   6.487    188
       2543.71   6.363     61
       2541.39   6.357    100
       2539.07   6.352     50
       1832.77   4.585    112
       1826.91   4.570    110
       1574.22   3.938      9
       1503.30   3.761   1000
       1489.38   3.726      5
       1430.30   3.578      9
        976.08   2.442     36
        970.10   2.427     80
        964.12   2.412     33
    


  • 1H NMR 89.56 MHz
    C9 H12 O3 0.046 g : 0.5 ml CDCl3
    3,5-dimethoxybenzyl alcohol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.486 B 6.359 C 4.572 D 3.757 E 2.36

         Hz     ppm     Int.
    

        582.31   6.502     68
        580.00   6.477    112
        571.31   6.380     37
        569.06   6.354     42
        409.50   4.573    109
        336.50   3.758   1000
        334.44   3.735     29
        211.19   2.359     27
    

in CDCl3



KBr disc



nujol mull



4880 A,200 M,powder



3,5-Dimethoxybenzyl alcohol(705-76-0) 13C NMR Atlas of Related Products

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