Product NameISOBUTYL2-METHYLVALERATE

CAS

Molecular FormulaC10H20O2

Molecular Weight172.2646

InChIInChI=1S/C10H20O2/c1-5-6-9(4)10(11)12-7-8(2)3/h8-9H,5-7H2,1-4H3

InChIKey VSNXGQJZBDUEOD-UHFFFAOYSA-N

SmilesC(OCC(C)C)(=O)C(C)CCC

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¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A     *1      3.86
      B     *1      3.85
      C             2.457
      D             1.933
      E     *2      1.652
      F     *2      1.39
      G             1.33
      J             1.149
      K             0.938
      L             0.91
     
     J(A,B)=-10.6HZ
     J(A,D)=6.7HZ
     J(B,D)=6.6HZ

Spectral Code: 1H NMR : 400 MHz in CDCl3

       ppm   Int.  Assign.

      176.86   227      1
       70.31   542      2
       39.52   555      3
       36.12   522      4
       27.89   520      5
       20.50   513      6
       19.14  1000      7
       17.17   459      8
       13.99   470      9

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : liquid film

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