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1-Cyano-dibenzo-bullvalene

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1-Cyano-dibenzo-bullvalene
SpectraBase Compound ID EfEfVfGOFR8
InChI InChI=1S/C17H11N/c18-9-17-14-10-5-1-3-7-12(10)15(17)16(17)13-8-4-2-6-11(13)14/h1-8,14-16H/t14-,15+,16-,17+
InChIKey JZJQJLVJVGTBFE-WNKDZCFJSA-N
Mol Weight 229.28 g/mol
Molecular Formula C17H11N
Exact Mass 229.089149 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Je65fQ43PL5
Name 1-Cyano-dibenzo-bullvalene
CAS Registry Number 41133-59-9
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C17H11N
InChI InChI=1S/C17H11N/c18-9-17-14-10-5-1-3-7-12(10)15(17)16(17)13-8-4-2-6-11(13)14/h1-8,14-16H/t14-,15+,16-,17+
InChIKey JZJQJLVJVGTBFE-WNKDZCFJSA-N
Instrument Name Bruker HX-90
Literature Reference L.A. Paquette, W.E. Volz, J. Am. Chem. Soc. 98, 2910 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3