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(E,E,E)-(2/6/)Paracyclophane-1,17,33-triene

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(E,E,E)-(2/6/)Paracyclophane-1,17,33-triene
SpectraBase Compound ID 2V6lEeBWYFH
InChI InChI=1S/C48H42/c1-2-38-4-3-37(1)25-26-39-5-7-41(8-6-39)29-30-43-13-15-45(16-14-43)33-34-47-21-23-48(24-22-47)36-35-46-19-17-44(18-20-46)32-31-42-11-9-40(10-12-42)28-27-38/h1-26,31-34H,27-30,35-36H2/b26-25+,32-31+,34-33+
InChIKey OKXJHPOPFFEWDY-HZVBDRCISA-N
Mol Weight 618.9 g/mol
Molecular Formula C48H42
Exact Mass 618.328651 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AWI173v74ie
Name (E,E,E)-(2/6/)Paracyclophane-1,17,33-triene
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C48H42
InChI InChI=1S/C48H42/c1-2-38-4-3-37(1)25-26-39-5-7-41(8-6-39)29-30-43-13-15-45(16-14-43)33-34-47-21-23-48(24-22-47)36-35-46-19-17-44(18-20-46)32-31-42-11-9-40(10-12-42)28-27-38/h1-26,31-34H,27-30,35-36H2/b26-25+,32-31+,34-33+
InChIKey OKXJHPOPFFEWDY-HZVBDRCISA-N
Literature Reference Y. Ito, S. Miyata, T. Saegusa, J. Chem. Soc. Chem. Comm. 375 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3