1798-09-0

3-甲氧基苯乙酸(1798-09-0)红外图谱(IR2)

产品名称:3-甲氧基苯乙酸

CAS:1798-09-0

分子式:C9H10O3

分子量: 166.17

InChI:InChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

InChIKey: LEGPZHPSIPPYIO-UHFFFAOYSA-N

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

Mass

MS-NW-6620          
m-methoxyphenylacetic acid
C9H10O3             (Mass of molecular ion:    166)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.7
      18.0       3.1
      27.0       2.6
      28.0       2.6
      29.0       1.1
      38.0       2.5
      39.0       8.1
      41.0       2.3
      44.0       1.1
      45.0       2.8
      50.0       4.5
      51.0       9.9
      52.0       5.3
      53.0       2.2
      55.0       1.7
      62.0       2.4
      63.0       5.4
      64.0       1.8
      65.0       7.4
      66.0       1.4
      67.0       1.4
      74.0       1.1
      76.0       1.1
      77.0      17.2
      78.0      13.3
      79.0       6.3
      89.0       5.0
      90.0       3.8
      91.0      36.1
      92.0       5.9
      93.0       1.3
      95.0       1.2
     105.0       2.5
     106.0       3.9
     107.0       7.4
     119.0       1.0
     120.0       1.5
     121.0     100.0
     122.0      17.2
     123.0       2.6
     148.0       5.9
     166.0      84.2
     167.0       9.1
     168.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₀ O₃	0.045 g : 0.5 ml CDCl₃
m-methoxyphenylacetic acid

    Assign.     Shift(ppm)

      A            11.26
      B             7.215
      C          6.89 to 6.77
      D             3.777
      E             3.600

     Hz     ppm     Int.

   1008.64  11.263     31
    656.16   7.327     24
    648.22   7.238     49
    647.02   7.225     47
    640.01   7.147     57
    639.25   7.138     34
    617.37   6.894     58
    616.09   6.880     73
    613.53   6.851     98
    612.59   6.840    101
    611.39   6.827     79
    610.79   6.820     66
    609.51   6.806    116
    607.29   6.781     46
    605.92   6.766     28
    338.38   3.779   1000
    322.49   3.601    298

in CDCl3