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cis-2-Methyl-4-tert.-butyl-cyclohexanone, cis-4-(1,1-dimethylethyl)-2-methyl-cyclohexanone

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cis-2-Methyl-4-tert.-butyl-cyclohexanone, cis-4-(1,1-dimethylethyl)-2-methyl-cyclohexanone
SpectraBase Compound ID GNlvnblvFAU
InChI InChI=1S/C11H20O/c1-8-7-9(11(2,3)4)5-6-10(8)12/h8-9H,5-7H2,1-4H3
InChIKey LYCRAZFAMQOPDJ-UHFFFAOYSA-N
Mol Weight 168.28 g/mol
Molecular Formula C11H20O
Exact Mass 168.151415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ZhzrWXMLwJ
Name trans-2-Methyl-4-tert-butyl-cyclohexanone
CAS Registry Number 85114-29-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H20O
InChI InChI=1S/C11H20O/c1-8-7-9(11(2,3)4)5-6-10(8)12/h8-9H,5-7H2,1-4H3
InChIKey LYCRAZFAMQOPDJ-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference D.A. Lightner, T.D. Bouman, B.V.Crist, J. Am. Chem. Soc. 109, 6248 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3