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(7)-Circulene

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(7)-Circulene
SpectraBase Compound ID 1Gx3PTO5b8t
InChI InChI=1S/C28H14/c1-2-16-5-6-18-9-11-20-13-14-21-12-10-19-8-7-17-4-3-15(1)22-23(16)25(18)27(20)28(21)26(19)24(17)22/h1-14H
InChIKey BFKUXIISMLUVMJ-UHFFFAOYSA-N
Mol Weight 350.42 g/mol
Molecular Formula C28H14
Exact Mass 350.10955 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JrqibQ7o4Pj
Name (7)-Circulene
CAS Registry Number 76276-09-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C28H14
InChI InChI=1S/C28H14/c1-2-16-5-6-18-9-11-20-13-14-21-12-10-19-8-7-17-4-3-15(1)22-23(16)25(18)27(20)28(21)26(19)24(17)22/h1-14H
InChIKey BFKUXIISMLUVMJ-UHFFFAOYSA-N
Literature Reference K. Yamamoto, T. Harada, Y. Okamoto, J. Am. Chem. Soc. 110, 3578 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3