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Back ChemicalBook Home>CAS DataBase List>951-82-6More Spectrum> 3,4,5-Trimethoxyphenylacetic acid(951-82-6) 13C NMR

3,4,5-Trimethoxyphenylacetic acid(951-82-6) 13C NMR

Molecular FormulaC11H14O5

Molecular Weight226.23

InChIInChI=1S/C11H14O5/c1-14-8-4-7(6-10(12)13)5-9(15-2)11(8)16-3/h4-5H,6H2,1-3H3,(H,12,13)

InChIKey DDSJXCGGOXKGSJ-UHFFFAOYSA-N

SmilesC1(CC(O)=O)=CC(OC)=C(OC)C(OC)=C1


  • Mass

    MS-NW-6990          
    3,4,5-trimethoxyphenylacetic acid
    C11H14O5            (Mass of molecular ion:    226)
    

       Source Temperature: 180 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          15.0       4.3
          17.0       1.0
          18.0       4.2
          27.0       3.4
          28.0       1.9
          29.0       1.4
          38.0       1.9
          39.0       7.2
          41.0       2.8
          43.0       2.0
          45.0       2.5
          50.0       2.6
          51.0       5.7
          52.0       5.9
          53.0       5.1
          55.0       3.0
          62.0       1.1
          63.0       3.3
          64.0       2.9
          65.0       3.8
          66.0       1.8
          67.0       2.7
          69.0       2.3
          76.0       1.0
          77.0       5.2
          78.0       2.7
          79.0       6.4
          80.0       3.0
          81.0       2.1
          83.0       1.0
          89.0       1.6
          90.0       2.2
          91.0       2.4
          92.0       1.7
          93.0       1.8
          94.0       1.2
          95.0       5.0
          96.0       1.8
          97.0       2.0
         105.0       2.8
         106.0       1.9
         107.0       3.2
         108.0       1.3
         109.0       5.0
         111.0       1.1
         120.0       1.8
         121.0       3.0
         122.0       1.1
         123.0       3.9
         124.0       5.8
         125.0       1.3
         135.0       3.1
         136.0       4.1
         137.0      11.5
         138.0       3.1
         139.0      11.6
         140.0       1.4
         141.0       9.8
         148.0       6.0
         149.0       1.3
         151.0       4.1
         153.0       2.0
         165.0       4.5
         166.0       2.2
         167.0       4.0
         168.0       1.5
         169.0       4.3
         181.0      52.3
         182.0       6.5
         183.0       3.3
         211.0      49.6
         212.0       5.9
         226.0     100.0
         227.0      12.0
         228.0       1.9
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C11 H14 O5 0.044 g : 0.5 ml CDCl3
    3,4,5-trimethoxyphenylacetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.17 B 6.505 C 3.846 D 3.829 E 3.579

         Hz     ppm     Int.
    

        582.68   6.507    227
        344.53   3.847   1000
        342.99   3.830    766
        320.61   3.580    184
    

in CDCl3



KBr disc



nujol mull





3,4,5-Trimethoxyphenylacetic acid(951-82-6) 13C NMR Atlas of Related Products

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