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Back ChemicalBook Home>CAS DataBase List>6970-19-0More Spectrum> 3,4,5-TRIETHOXYBENZOIC ACID(6970-19-0) IR1

3,4,5-TRIETHOXYBENZOIC ACID(6970-19-0) IR1

Molecular FormulaC13H18O5

Molecular Weight254.28

InChIInChI=1S/C13H18O5/c1-4-16-10-7-9(13(14)15)8-11(17-5-2)12(10)18-6-3/h7-8H,4-6H2,1-3H3,(H,14,15)

InChIKey YCENSLDYFDZUMO-UHFFFAOYSA-N

SmilesC(O)(=O)C1=CC(OCC)=C(OCC)C(OCC)=C1


  • Mass

    MS-NW-8291          
    3,4,5-triethoxybenzoic acid
    C13H18O5            (Mass of molecular ion:    254)
    

       Source Temperature: 170 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          17.0       1.0
          18.0       4.6
          27.0       9.1
          28.0       2.7
          29.0      26.4
          38.0       1.4
          39.0       7.3
          40.0       1.4
          41.0       3.1
          43.0       4.2
          45.0       2.1
          50.0       1.7
          51.0       4.8
          52.0       1.1
          53.0       3.6
          55.0       2.8
          57.0       1.7
          65.0       1.4
          66.0       2.1
          67.0       6.6
          68.0       1.9
          69.0       4.8
          77.0       1.7
          78.0       1.7
          79.0       5.4
          81.0       1.9
          84.0       2.0
          91.0       1.0
          95.0       3.2
          96.0       2.0
          97.0       2.3
         107.0       3.1
         108.0       1.2
         109.0       1.7
         111.0       1.6
         113.0      11.6
         123.0       3.5
         124.0       2.8
         125.0       3.1
         126.0       1.3
         135.0       3.0
         136.0       1.0
         137.0       1.7
         141.0       9.5
         142.0       1.3
         151.0       2.2
         152.0       3.6
         153.0      13.6
         154.0       2.1
         165.0       1.0
         169.0      48.5
         170.0     100.0
         171.0       8.3
         172.0       1.3
         179.0       1.4
         181.0       5.2
         182.0       1.4
         183.0       1.1
         197.0       6.7
         198.0      33.5
         199.0       3.5
         209.0       1.7
         225.0       3.6
         226.0      31.1
         227.0       3.9
         237.0       1.0
         254.0      53.2
         255.0       7.9
         256.0       1.1
         282.0       1.0
    

in CDCl3



KBr disc



nujol mull



3,4,5-TRIETHOXYBENZOIC ACID(6970-19-0) IR1 Atlas of Related Products

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