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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



  •     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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