5421-04-5

DL-MANDELIC ACID ISOAMYL ESTER(5421-04-5) IR1

Product NameDL-MANDELIC ACID ISOAMYL ESTER

CAS 5421-04-5

Molecular FormulaC13H18O3

Molecular Weight222.28

InChIInChI=1S/C13H18O3/c1-10(2)8-9-16-13(15)12(14)11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3

InChIKey KQQXUARABJGCMS-UHFFFAOYSA-N

SmilesC1(=CC=CC=C1)C(O)C(=O)OCCC(C)C

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DL-MANDELIC ACID ISOAMYL ESTER(5421-04-5) IR1

    Assign.     Shift(ppm)

      A          7.55 to 7.19
      B             5.145
      C             4.17
      D             3.51
      E             1.60
      F             1.46
      G     *1      0.84
      J     *1      0.82

Spectral Code: 1H NMR : 90 MHz in CDCl3

DL-MANDELIC ACID ISOAMYL ESTER(5421-04-5) IR1

       ppm   Int.  Assign.

      173.76   363      1
      138.56   249      2
      128.51  1000      3 *
      128.36   438      4
      126.55   905      5 *
       72.98   284      6
       64.80   353      7
       37.11   348      8
       24.93   393      9
       22.31   453     10
       22.26   458     10

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : liquid film

Spectral Code: Raman : 4880 A,150M,liquid

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