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2107-70-2

3,4-二甲氧基苯丙酸(2107-70-2)红外图谱(IR2)

分子式:C11H14O4

分子量: 210.23

InChI:InChI=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

Smiles:C1(CCC(O)=O)=CC=C(OC)C(OC)=C1

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    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

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    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

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KBr disc

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nujol mull

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