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1-Thia-2,7-di-tert-butyl-4-methyl-5-carboethoxy-cycloheptatriene

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1-Thia-2,7-di-tert-butyl-4-methyl-5-carboethoxy-cycloheptatriene
SpectraBase Compound ID 4n834HjiYcW
InChI InChI=1S/C18H28O2S/c1-9-20-16(19)13-11-15(18(6,7)8)21-14(10-12(13)2)17(3,4)5/h10-11H,9H2,1-8H3
InChIKey QOSCNMFNTVWXMF-UHFFFAOYSA-N
Mol Weight 308.48 g/mol
Molecular Formula C18H28O2S
Exact Mass 308.181001 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9NDd12Yqg3E
Name 1-Thia-2,7-di-tert-butyl-4-methyl-5-carboethoxy-cycloheptatriene
CAS Registry Number 71951-58-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H28O2S
InChI InChI=1S/C18H28O2S/c1-9-20-16(19)13-11-15(18(6,7)8)21-14(10-12(13)2)17(3,4)5/h10-11H,9H2,1-8H3
InChIKey QOSCNMFNTVWXMF-UHFFFAOYSA-N
Literature Reference K. Nishino, S. Yano, K. Kohashi, J. Am. Chem. Soc. 101, 5059 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3