4-DODECANONE(6137-26-4) ¹³C NMR

Product Name4-DODECANONE

CAS 6137-26-4

Molecular FormulaC12H24O

Molecular Weight184.32

InChIInChI=1S/C12H24O/c1-3-5-6-7-8-9-11-12(13)10-4-2/h3-11H2,1-2H3

InChIKey AVQSOIZWTINZLU-UHFFFAOYSA-N

SmilesCCCC(=O)CCCCCCCC

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¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A             2.37
      B             1.58
      C             1.56
      D             1.27
      E             0.91
      F             0.88

Spectral Code: 1H NMR : 90 MHz in CDCl3

       ppm   Int.  Assign.

      211.06   317      1
       44.75   601      2
       42.88   623      3
       31.93   601      4
       29.42  1000      5 *
       29.25   749      6 *
       23.98   667      7
       22.72   634      8
       17.41   645      9
       14.07   563     10
       13.80   585     11

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : liquid film

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4-DODECANONE(6137-26-4) 13C NMR

4-DODECANONE(6137-26-4) ¹³C NMR