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Back ChemicalBook Home>CAS DataBase List>67-47-0More Spectrum> 5-Hydroxymethylfurfural(67-47-0) 13C NMR

5-Hydroxymethylfurfural(67-47-0) 13C NMR

Molecular FormulaC6H6O3

Molecular Weight126.11

InChIInChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2

InChIKey NOEGNKMFWQHSLB-UHFFFAOYSA-N

SmilesO1C(CO)=CC=C1C=O



  •     Parameter     ppm  Hz
    D(A) 9.531 D(B) 7.230 D(C) 6.515 D(D) 4.690 J(B,C) 3.5 J(B,D) 0.0 J(C,D) 0.0 D(E) 3.73
    Spectral Code: 1H NMR : parameter in CDCl3



  •        ppm   Int.  Assign.
    178.00 978 1 161.44 1000 2 152.07 985 3 123.86 645 4 110.05 953 5 57.17 978 6
    Spectral Code: 13C NMR : in CDCl3


  • Spectral Code: IR : liquid film



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