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2-Cyclohexen-1-one, 2,6-dimethyl-6-(3,4,4-trichloro-3-buten-1-ynyl)-

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2-Cyclohexen-1-one, 2,6-dimethyl-6-(3,4,4-trichloro-3-buten-1-ynyl)-
SpectraBase Compound ID fLyWz5XEO6
InChI InChI=1S/C12H11Cl3O/c1-8-4-3-6-12(2,10(8)16)7-5-9(13)11(14)15/h4H,3,6H2,1-2H3
InChIKey NMXPEJAPCHSYFA-UHFFFAOYSA-N
Mol Weight 277.58 g/mol
Molecular Formula C12H11Cl3O
Exact Mass 275.987548 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D8l4ru8jn9o
Name 2,6-Dimethyl-6-(3,4,4-trichloro-but-3-en-1-ynyl)-2-cyclohexen-1-one
CAS Registry Number 77958-42-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H11Cl3O
InChI InChI=1S/C12H11Cl3O/c1-8-4-3-6-12(2,10(8)16)7-5-9(13)11(14)15/h4H,3,6H2,1-2H3
InChIKey NMXPEJAPCHSYFA-UHFFFAOYSA-N
Literature Reference A.S. Kende, P. Fludzinski, J.H.Hill, J. Am. Chem. Soc. 103, 2904 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3