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2,3,4-Tri-tert-butyl-cyclobutadiene-1-carboxylic acid, tert-butyl ester
SpectraBase Compound ID 622XrpaWkdq
InChI InChI=1S/C21H36O2/c1-18(2,3)14-13(17(22)23-21(10,11)12)15(19(4,5)6)16(14)20(7,8)9/h1-12H3
InChIKey IXLSVUIJPZHJGS-UHFFFAOYSA-N
Mol Weight 320.5 g/mol
Molecular Formula C21H36O2
Exact Mass 320.27153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KZEWhNfdm2F
Name 2,3,4-Tri-tert-butyl-cyclobutadiene-1-carboxylic acid, tert-butyl ester
CAS Registry Number 83747-03-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H36O2
InChI InChI=1S/C21H36O2/c1-18(2,3)14-13(17(22)23-21(10,11)12)15(19(4,5)6)16(14)20(7,8)9/h1-12H3
InChIKey IXLSVUIJPZHJGS-UHFFFAOYSA-N
Literature Reference P. Eisenbarth, M. Regitz, Angew. Chem. 2016 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3