80409-16-1

DL-Mandelic acid benzyl ester(80409-16-1) Raman

Product NameDL-Mandelic acid benzyl ester

CAS 80409-16-1

Molecular FormulaC15H14O3

Molecular Weight242.27

InChIInChI=1S/C15H14O3/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2

InChIKey JFKWZVQEMSKSBU-UHFFFAOYSA-N

SmilesC1(C=CC=CC=1)C(O)C(=O)OCC1C=CC=CC=1

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DL-Mandelic acid benzyl ester(80409-16-1) Raman

    Assign.     Shift(ppm)

      A             7.40
      B             7.34
      C             7.32
      D             7.29
      E             7.18
      F     *1      5.21
      G             5.20
      J     *1      5.17
      K             3.53

Spectral Code: 1H NMR : 400 MHz in CDCl3

DL-Mandelic acid benzyl ester(80409-16-1) Raman

       ppm   Int.  Assign.

      173.41   129      1
      138.31   161      2
      135.12   124      3
      128.50  1000      4
                        5
                        6
                        7
      127.90   441      8
      126.63   516      9
       73.05   231     10
       67.46   231     11

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : KBr disc

Spectral Code: Raman : 4880 A,200 M,powder

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