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6-SEC.-BUTYNYL-2,6-DIMETHYLCYCLOHEXA-2,4-DIENONE,THREO
SpectraBase Compound ID 8WbZ07osfMv
InChI InChI=1S/C12H14O/c1-5-10(3)12(4)8-6-7-9(2)11(12)13/h1,6-8,10H,2-4H3
InChIKey WKCHSIDOXJDPTG-UHFFFAOYSA-N
Mol Weight 174.24 g/mol
Molecular Formula C12H14O
Exact Mass 174.104465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BSMKT5qhdpK
Name 2,6-Dimethyl-6-(1-methyl-2-propynyl)-cyclohexa-2,4-dien-1-one
CAS Registry Number 38011-44-8
Comments THREO-FORM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H14O
InChI InChI=1S/C12H14O/c1-5-10(3)12(4)8-6-7-9(2)11(12)13/h1,6-8,10H,2-4H3
InChIKey WKCHSIDOXJDPTG-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference R. Hollenstein, W. Von Philipsborn, Helv. Chim. Acta 55, 2030 (1972).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3