methyl 2-ethylhexanoate (816-19-3) ¹³C NMR

Product Namemethyl 2-ethylhexanoate

CAS 816-19-3

Molecular FormulaC9H18O2

Molecular Weight158.24

InChIInChI=1S/C9H18O2/c1-4-6-7-8(5-2)9(10)11-3/h8H,4-7H2,1-3H3

InChIKey KICUISADAVMYCJ-UHFFFAOYSA-N

SmilesC(OC)(=O)C(CC)CCCC

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¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A             3.674
      B             2.275
      C     *1      1.63
      D     *2      1.58
      E     *1      1.52
      F     *2      1.45
      G             1.30
      J             1.24
      K             0.885

Spectral Code: 1H NMR : 400 MHz in CDCl3

       ppm   Int.  Assign.

      176.84   386      1
       51.22   788      2
       47.38  1000      3
       31.93   937      4
       29.78   872      5
       25.59   939      6
       22.73   907      7
       13.97   807      8
       11.88   762      9

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : liquid film

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methyl 2-ethylhexanoate (816-19-3) 13C NMR

methyl 2-ethylhexanoate (816-19-3) ¹³C NMR