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2,5-Diisopropyl-3,4-diphenacyl-7,8-diphenyl-benzocyclobutadiene
SpectraBase Compound ID 7whjYtXRFn9
InChI InChI=1S/C40H34O2/c1-25(2)31-35-33(27-17-9-5-10-18-27)34(28-19-11-6-12-20-28)36(35)32(26(3)4)38(40(42)30-23-15-8-16-24-30)37(31)39(41)29-21-13-7-14-22-29/h5-26H,1-4H3
InChIKey AFGXKXXELZQENF-UHFFFAOYSA-N
Mol Weight 546.7 g/mol
Molecular Formula C40H34O2
Exact Mass 546.25588 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EP5lVFyTZ5U
Name 2,5-Diisopropyl-3,4-diphenacyl-7,8-diphenyl-benzocyclobutadiene
Comments reassigned
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Formula C40H34O2
InChI InChI=1S/C40H34O2/c1-25(2)31-35-33(27-17-9-5-10-18-27)34(28-19-11-6-12-20-28)36(35)32(26(3)4)38(40(42)30-23-15-8-16-24-30)37(31)39(41)29-21-13-7-14-22-29/h5-26H,1-4H3
InChIKey AFGXKXXELZQENF-UHFFFAOYSA-N
Literature Reference F. Toda, N. Dan, K. Tanaka, J. Am. Chem. Soc. 99, 4529 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3