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Back ChemicalBook Home>CAS DataBase List>68443-63-0More Spectrum> 2-ETHYLHEXANOIC ACID N-BUTYL ESTER(68443-63-0) IR1

2-ETHYLHEXANOIC ACID N-BUTYL ESTER(68443-63-0) IR1

Molecular FormulaC12H24O2

Molecular Weight200.32

InChIInChI=1S/C12H24O2/c1-4-7-9-11(6-3)12(13)14-10-8-5-2/h11H,4-10H2,1-3H3

InChIKey USPADFUBVAGYOJ-UHFFFAOYSA-N

SmilesC(OCCCC)(=O)C(CC)CCCC



  •     Assign.     Shift(ppm)
    A 4.08 B 2.26 C 1.86 to 1.10 D 0.93 E 0.89
    Spectral Code: 1H NMR : 90 MHz in CDCl3



  •        ppm   Int.  Assign.
    176.49 508 1 63.89 784 2 47.51 1000 3 31.91 859 4 30.89 889 5 29.73 899 6 25.59 698 7 22.71 764 8 19.26 899 9 13.96 704 10 * 13.71 759 11 * 11.88 744 12
    Spectral Code: 13C NMR : in CDCl3


  • Spectral Code: IR : liquid film


  • Spectral Code: Raman : 4880 A,200 M,liquid

2-ETHYLHEXANOIC ACID N-BUTYL ESTER(68443-63-0) IR1 Atlas of Related Products

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