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返回ChemicalBook首页>CAS数据库列表>51019-43-3更多图谱> (-)-O-乙酰基-D-扁桃酸(51019-43-3)红外图谱(IR1)

51019-43-3

(-)-O-乙酰基-D-扁桃酸(51019-43-3)红外图谱(IR1)

分子式:C10H10O4

分子量: 194.19

InChI:InChI=1/C10H10O4/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,13)/t9-/s3

InChIKey: OBCUSTCTKLTMBX-DJEYLCQNNA-N

Smiles:[C@@H](C1C=CC=CC=1)(C(=O)O)OC(=O)C |&1:0,r|

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    Mass

    MS-IW-9718          
    (R)-(-)-o-acetylmandelic acid
    C10H10O4            (Mass of molecular ion:    194)
    

       Source Temperature: 150 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          15.0       2.4
          18.0       1.4
          27.0       1.1
          28.0       1.8
          29.0       1.1
          39.0       3.0
          42.0       1.0
          43.0     100.0
          44.0       2.6
          45.0       2.3
          50.0       2.3
          51.0       7.5
          52.0       1.6
          62.0       1.1
          63.0       2.8
          77.0      17.1
          78.0       3.0
          79.0      24.5
          80.0       1.7
          89.0       3.7
          90.0       5.1
          91.0       3.0
         105.0      16.1
         106.0      10.4
         107.0      87.2
         108.0      18.2
         109.0       1.3
         118.0       1.1
         134.0      33.2
         135.0       5.3
         149.0      13.0
         150.0       4.0
         152.0      10.0
         166.0       2.2
         176.0       7.7
         194.0       3.4
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C10 H10 O4 0.040 g : 0.5 ml CDCl3
    (R)-(-)-O-acetylmandelic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.4 B 7.47 C 7.39 D 5.928 E 2.177

         Hz     ppm     Int.
    

       2992.25   7.488     81
       2990.42   7.483     65
       2988.59   7.479    111
       2987.06   7.475     91
       2985.08   7.470    114
       2982.64   7.464    128
       2980.04   7.457     27
       2978.52   7.453     21
       2958.68   7.404     40
       2956.70   7.399     80
       2954.86   7.394    236
       2952.58   7.388    145
       2951.35   7.385    231
       2948.30   7.378    226
       2947.08   7.375     71
       2944.34   7.368     24
       2369.08   5.928    277
        870.36   2.178   1000
    

in CDCl3

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KBr disk

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nujol mull

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