2,3-DIMETHYL OCTANE(7146-60-3) IR1

Product Name2,3-DIMETHYL OCTANE

CAS 7146-60-3

Molecular FormulaC10H22

Molecular Weight142.28

InChIInChI=1S/C10H22/c1-5-6-7-8-10(4)9(2)3/h9-10H,5-8H2,1-4H3

InChIKey YPMNDMUOGQJCLW-UHFFFAOYSA-N

SmilesCC(C)C(C)CCCCC

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¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A             1.54
      B     *1      1.30
      C             1.28
      D             1.27
      E     *1      1.07
      F             0.887
      G             0.853
      J             0.796
      K             0.786
     
     THE SHIFT VALUES WERE OBTAINED AT 400MHZ.
     J(A,G)=6.8HZ. J(A,J)=6.8HZ. J(D,K)=6.7HZ.

Spectral Code: 1H NMR : 90 MHz in CDCl3

       ppm   Int.  Assign.

       38.78   776      6
       34.33   986      5
       32.51   958      3 *
       32.19   853      8 *
       27.45   951      4
       22.92   825      2
       20.35   951      9
       18.09  1000      9
       15.45   951      7
       14.18   874      1

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : liquid film

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