DL-2-Methylbutyric acid ethyl ester(53956-13-1) Raman

Product NameDL-2-Methylbutyric acid ethyl ester

CAS 53956-13-1

Molecular Formula

Molecular Weight

InChIInChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3

InChIKey HCRBXQFHJMCTLF-UHFFFAOYSA-N

SmilesC(OCC)(=O)C(C)CC

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    Assign.     Shift(ppm)

      A             4.127
      B             2.35
      C     *1      1.63
      D     *1      1.52
      E             1.230
      F             1.151
      G             0.92

Spectral Code: 1H NMR : 90 MHz in CDCl3

       ppm   Int.  Assign.

      176.72   477      1
       60.08   925      2
       41.19  1000      3
       26.92   965      4
       16.69   910      5
       14.33   844      6
       11.64   889      7

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : liquid film

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

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