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Back ChemicalBook Home>CAS DataBase List>2107-70-2More Spectrum> 3,4-Dimethoxyhydrocinnamic acid(2107-70-2) IR1

2107-70-2

3,4-Dimethoxyhydrocinnamic acid(2107-70-2) IR1

Molecular FormulaC11H14O4

Molecular Weight210.23

InChIInChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)

InChIKey LHHKQWQTBCTDQM-UHFFFAOYSA-N

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

  • 3,4-Dimethoxyhydrocinnamic acid(2107-70-2) IR1
    Mass

    MS-NW-9782          
    3-(3,4-dimethoxyphenyl)propionic acid
    C11H14O4            (Mass of molecular ion:    210)
    

       Source Temperature: 160 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       1.1
          39.0       1.4
          51.0       1.7
          55.0       1.4
          65.0       2.0
          77.0       4.1
          78.0       2.1
          79.0       2.3
          90.0       1.2
          91.0       4.2
         103.0       1.4
         105.0       2.7
         106.0       2.1
         107.0       6.5
         108.0       2.4
         119.0       1.2
         121.0       3.7
         135.0       2.6
         136.0       1.1
         137.0       1.1
         149.0       6.7
         150.0       1.4
         151.0     100.0
         152.0      10.0
         153.0       1.4
         164.0       1.5
         165.0       1.3
         195.0       1.5
         210.0      42.5
         211.0       5.2
    

90 MHz in CDCl3

  • 3,4-Dimethoxyhydrocinnamic acid(2107-70-2) IR1

    1H NMR 89.56 MHz
    C11 H14 O4 0.040 g : 0.5 ml CDCl3
    3-(3,4-dimethoxyphenyl)propionic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.4 B 6.76 C *1 3.857 D *1 3.847 E 2.90 F 2.67

         Hz     ppm     Int.
    

       1022.14  11.413     31
        606.69   6.775    262
        605.24   6.758    175
        604.13   6.746    154
        602.50   6.728     61
        345.56   3.859    829
        344.45   3.847   1000
        260.71   2.912     60
        253.61   2.832     74
        245.07   2.737     76
        243.87   2.723     73
        240.88   2.690     22
        239.00   2.669     55
        237.89   2.657     81
        236.10   2.637     22
        234.22   2.616     26
        231.31   2.583     28
    

in CDCl3

  • 3,4-Dimethoxyhydrocinnamic acid(2107-70-2) IR1

KBr disc

  • 3,4-Dimethoxyhydrocinnamic acid(2107-70-2) IR1

nujol mull

  • 3,4-Dimethoxyhydrocinnamic acid(2107-70-2) IR1

  • 3,4-Dimethoxyhydrocinnamic acid(2107-70-2) IR1

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