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.
fulvene(497-20-1) 1H NMR Atlas of Related Products
HomePage | Member Companies | Advertising | Contact us | Previous WebSite | MSDS | CAS Index | CAS DataBase
Copyright © 2017 ChemicalBook All rights reserved.