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Back ChemicalBook Home>CAS DataBase List>497-20-1More Spectrum> fulvene(497-20-1) 1H NMR

fulvene(497-20-1) 1H NMR

Product Namefulvene

CAS497-20-1

Molecular FormulaC6H6

Molecular Weight78.11

InChIInChI=1S/C6H6/c1-6-4-2-3-5-6/h2-5H,1H2

InChIKey PGTKVMVZBBZCKQ-UHFFFAOYSA-N

SmilesC1C(=C)C=CC=1



  •     Parameter     ppm  Hz
    D(A) 6.22 D(B) 6.53 D(C) 5.85 J(A,A') 1.95 J(A,B) 5.10 J(A,B') 1.30 J(A,C) -0.18 J(A,C') -0.42 J(A',B) 1.30 J(A',B') 5.10 J(A',C) -0.42 J(A',C') -0.18 J(B,B') 1.95 J(B,C) 0.45 J(B,C') 1.40 J(B',C) 1.40 J(B',C') 0.45 J(C,C') 0.1 HOLLENSTEIN,R. ET AL. HELV.CHIM.ACTA 56, 847 (1973) J(C-13,A):170HZ. J(C-13,B):166HZ. J(C-13,C):160HZ. J(C,C') LESS THAN 0.1HZ.
    Spectral Code: 1H NMR : parameter in CDCl3

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