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4-Methyl-[2/4/](1,2,4,5)cyclophane

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4-Methyl-[2/4/](1,2,4,5)cyclophane
SpectraBase Compound ID GIbJXgHvdyZ
InChI InChI=1S/C21H22/c1-13-20-8-6-16-11-17-7-9-21(13)19-5-3-15(17)10-14(16)2-4-18(20)12-19/h10-12H,2-9H2,1H3
InChIKey MPPFEWDMGZMOQC-UHFFFAOYSA-N
Mol Weight 274.41 g/mol
Molecular Formula C21H22
Exact Mass 274.172151 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7YIZ96CZzIE
Name 4-Methyl-[2/4/](1,2,4,5)cyclophane
CAS Registry Number 80028-64-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H22
InChI InChI=1S/C21H22/c1-13-20-8-6-16-11-17-7-9-21(13)19-5-3-15(17)10-14(16)2-4-18(20)12-19/h10-12H,2-9H2,1H3
InChIKey MPPFEWDMGZMOQC-UHFFFAOYSA-N
Instrument Name Bruker WH-400
Literature Reference L. Ernst, S. Eltamany, H. Hopf, J. Am. Chem. Soc. 104, 299 (1982).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3