771-90-4

DL-扁桃酸甲酯(771-90-4)红外图谱(IR2)

产品名称:DL-扁桃酸甲酯

CAS:771-90-4

分子式:C9H10O3

分子量: 166.17

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

InChIKey: ITATYELQCJRCCK-UHFFFAOYSA-N

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

Mass

MS-NW-8877          
methyl alpha-hydroxyphenylacetate
C9H10O3             (Mass of molecular ion:    166)

   Source Temperature: 280 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      15.0       1.8
      27.0       1.3
      29.0       1.9
      39.0       2.1
      50.0       2.3
      51.0       7.6
      52.0       2.0
      53.0       1.4
      63.0       1.4
      77.0      26.8
      78.0       4.4
      79.0      48.3
      80.0       3.2
      89.0       1.1
      90.0       1.0
     105.0       7.2
     106.0       2.3
     107.0     100.0
     108.0       7.8
     166.0       7.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₀ O₃	0.038 g : 0.5 ml CDCl₃
methyl alpha-hydroxyphenylacetate

    Assign.     Shift(ppm)

      A             7.40
      B             7.36
      C             7.32
      D             5.175
      E             3.733

     Hz     ppm     Int.

   2964.60   7.418     87
   2962.77   7.414    103
   2960.94   7.409     49
   2957.64   7.401    103
   2956.42   7.398    160
   2954.96   7.394    164
   2952.51   7.388     32
   2948.00   7.377     70
   2945.56   7.371     81
   2943.97   7.367     49
   2941.77   7.361     49
   2939.45   7.356    199
   2937.87   7.352     89
   2936.77   7.349     47
   2933.59   7.341     87
   2932.25   7.338    176
   2930.54   7.333    156
   2928.71   7.329     75
   2927.25   7.325     42
   2923.83   7.316     66
   2068.12   5.175    236
   1491.82   3.733   1000
      0.00   0.001    272

in CDCl3