3,3-Dimethyloctane(4110-44-5) IR1

Product Name3,3-Dimethyloctane

CAS 4110-44-5

Molecular FormulaC10H22

Molecular Weight142.28

InChIInChI=1S/C10H22/c1-5-7-8-9-10(3,4)6-2/h5-9H2,1-4H3

InChIKey DBULLUBYDONGLT-UHFFFAOYSA-N

SmilesCCC(C)(C)CCCCC

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¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A             1.30
      B             1.21
      C             1.206
      D             1.15
      E             0.886
      F             0.806
      G             0.789
     
     J(A,E) = 7.15 HZ.
     J(C,G) = 7.6 HZ.

Spectral Code: 1H NMR : 90 MHz in CDCl3

       ppm   Int.  Assign.

       41.65   416      5
       34.23   489      7
       33.10   395      3
       32.73   268      6
       26.80  1000      9
       23.82   437      4
       22.88   368      2
       14.16   337      1
        8.43   363      8

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : liquid film

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