2107-70-2

3,4-二甲氧基苯丙酸(2107-70-2)红外图谱(IR2)

产品名称:3,4-二甲氧基苯丙酸

CAS:2107-70-2

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

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

¹H NMR	89.56 MHz
C₁₁ H₁₄ O₄	0.040 g : 0.5 ml CDCl₃
3-(3,4-dimethoxyphenyl)propionic acid

    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