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4-Dichloromethyl-4-methyl-2,5-cyclohexadien-1-one

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4-Dichloromethyl-4-methyl-2,5-cyclohexadien-1-one
SpectraBase Compound ID KiTUnqJkM0j
InChI InChI=1S/C8H8Cl2O/c1-8(7(9)10)4-2-6(11)3-5-8/h2-5,7H,1H3
InChIKey MJRRCEHODULPAV-UHFFFAOYSA-N
Mol Weight 191.06 g/mol
Molecular Formula C8H8Cl2O
Exact Mass 189.99522 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CgpoB5xoOZ6
Name 4-Methyl-4-dichloromethyl-P-cyclohexadienone
CAS Registry Number 6611-78-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H8Cl2O
InChI InChI=1S/C8H8Cl2O/c1-8(7(9)10)4-2-6(11)3-5-8/h2-5,7H,1H3
InChIKey MJRRCEHODULPAV-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference E. Wenkert, P.M. Wovkulich, R. Pellicciari, J. Org. Chem. 42, 1105 (1977).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3